smiles large_string | gut_wall_process large_string | measured_value float64 | canonical_endpoint_key large_string | endpoint_family large_string | endpoint_subtype large_string | unit_basis large_string | direction large_string | target large_string | kinetic_parameter large_string | species_exact large_string | scalar_value float64 | unit_normalized large_string | scalar_is_approximate bool | variation_value float64 | variation_type large_string | accompanying_interval_lower float64 | accompanying_interval_upper float64 | molecule_name large_string | transporter_or_enzyme large_string | substrate_status large_string | assay_system large_string | intestinal_site large_string | qualifying_conditions large_string | pmid large_string | confidence large_string | source_id large_string | source_name large_string | record_id large_string | source_row_number int64 | input_sha256 large_string | parent_provenance_id large_string | child_id large_string | extra_details large_string | support_text large_string | paragraph_idx large_string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.km.um.cyp3a4 | 53 | q3.intestinal_metabolism.km.um.cyp3a4 | intestinal_metabolism | km | um | null | cyp3a4 | km | mouse | 53 | um | true | 12 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.96 | q3 | gut_wall | af7d69e4557d240c8ff3a3c37017b8152fd379556783dd11f86eafcc1ca5294e | 88 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | af7d69e4557d240c8ff3a3c37017b8152fd379556783dd11f86eafcc1ca5294e | 388349cd0e4e2d62c9ecc1c57226a30346b4d2ad76bc9ff3400fa0d3bfe2df99 | The apparent K_m for metabolism of amprenavir in intestinal tissue from P‑gp competent mice was 53 ± 12 µM, while in P‑gp deficient mice it was 50 ± 11 µM (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.km.um.cyp3a4 | 50 | q3.intestinal_metabolism.km.um.cyp3a4 | intestinal_metabolism | km | um | null | cyp3a4 | km | mouse | 50 | um | true | 11 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.96 | q3 | gut_wall | af7d69e4557d240c8ff3a3c37017b8152fd379556783dd11f86eafcc1ca5294e | 88 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | af7d69e4557d240c8ff3a3c37017b8152fd379556783dd11f86eafcc1ca5294e | 6d8ec3b54fb72113a11fc555d1dc61dcdc29a270e8dead23511f7aabc20fc655 | The apparent K_m for metabolism of amprenavir in intestinal tissue from P‑gp competent mice was 53 ± 12 µM, while in P‑gp deficient mice it was 50 ± 11 µM (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.vmax.pmol_min_cm2.cyp3a4 | 390 | q3.intestinal_metabolism.vmax.pmol_min_cm2.cyp3a4 | intestinal_metabolism | vmax | pmol_min_cm2 | null | cyp3a4 | vmax | mouse | 390 | pmol/min*cm2 | true | 26 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.95 | q3 | gut_wall | 347df4fe44021c6e3e810ee652a662395c46e400b5e30dd0fe41871cf55c3560 | 89 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 347df4fe44021c6e3e810ee652a662395c46e400b5e30dd0fe41871cf55c3560 | 38c7ed8661d822adfff248483b180b6c8ce91c6d7e1a03809b637af62106f351 | The predicted Vmax for metabolism of amprenavir in intestinal tissue from P‑gp competent mice was 390 ± 26 pmol/min·cm², and in P‑gp deficient mice it was 440 ± 29 pmol/min·cm² (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.vmax.pmol_min_cm2.cyp3a4 | 440 | q3.intestinal_metabolism.vmax.pmol_min_cm2.cyp3a4 | intestinal_metabolism | vmax | pmol_min_cm2 | null | cyp3a4 | vmax | mouse | 440 | pmol/min*cm2 | true | 29 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.95 | q3 | gut_wall | 347df4fe44021c6e3e810ee652a662395c46e400b5e30dd0fe41871cf55c3560 | 89 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 347df4fe44021c6e3e810ee652a662395c46e400b5e30dd0fe41871cf55c3560 | 976a52ba9fadf5ab93dcbf07946e562f482a59ba5865c44436e5d6e1b485ac8f | The predicted Vmax for metabolism of amprenavir in intestinal tissue from P‑gp competent mice was 390 ± 26 pmol/min·cm², and in P‑gp deficient mice it was 440 ± 29 pmol/min·cm² (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.clint.ul_min_cm2.cyp3a4 | 7.3 | q3.intestinal_metabolism.clint.ul_min_cm2.cyp3a4 | intestinal_metabolism | clint | ul_min_cm2 | null | cyp3a4 | clint | mouse | 7.3 | ul/min*cm2 | true | 0.78 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.94 | q3 | gut_wall | 16f38afc750396f926aad42f87d8ffd747a102c37a6d280247b6e97fccae5737 | 90 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 16f38afc750396f926aad42f87d8ffd747a102c37a6d280247b6e97fccae5737 | 9d2dfcff18f899374d0216bc23308f14b0ec1ded6513c3044163ab0444cb164a | The estimated in vitro intrinsic clearance (CLint) of amprenavir in intestinal tissue from P‑gp competent mice was 7.3 ± 0.78 µl/min·cm², while in P‑gp deficient mice it was 8.9 ± 1.1 µl/min·cm² (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.intestinal_metabolism.clint.ul_min_cm2.cyp3a4 | 8.9 | q3.intestinal_metabolism.clint.ul_min_cm2.cyp3a4 | intestinal_metabolism | clint | ul_min_cm2 | null | cyp3a4 | clint | mouse | 8.9 | ul/min*cm2 | true | 1.1 | unspecified_variation | null | null | Amprenavir | cyp3a4 | substrate | mouse intestinal tissue in ussing‐type diffusion chamber (metabolic rate measured during absorptive flux) | intestinal tissue | null | 23821186 | 0.94 | q3 | gut_wall | 16f38afc750396f926aad42f87d8ffd747a102c37a6d280247b6e97fccae5737 | 90 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 16f38afc750396f926aad42f87d8ffd747a102c37a6d280247b6e97fccae5737 | dd6253ee885e6023e7b8f453da834455c7feb5c33f197853bba4e78205831930 | The estimated in vitro intrinsic clearance (CLint) of amprenavir in intestinal tissue from P‑gp competent mice was 7.3 ± 0.78 µl/min·cm², while in P‑gp deficient mice it was 8.9 ± 1.1 µl/min·cm² (Table 1). | 32 | |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | q3.gut_wall_escape.fg.percent | 1.8 | q3.gut_wall_escape.fg.percent | gut_wall_escape | fg | percent | null | null | null | mouse | 1.8 | % | true | 0.48 | unspecified_variation | null | null | Amprenavir | p‐gp/abcb1 | substrate | oral gavage (0.42 mg/kg) with portal vein cannulation in mice | null | null | 23821186 | 0.94 | q3 | gut_wall | ca679cedfb0d02e20a9252939fd9eb6be0c31f47e895cde031e83bcd3cdc19d9 | 92 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ca679cedfb0d02e20a9252939fd9eb6be0c31f47e895cde031e83bcd3cdc19d9 | 810735e06e9ae44800fc9058cf81a7363993aeb44ef8d1fe7e3f00e07d869245 | Trend toward higher F_G in P‑gp deficient mice, but not statistically significant. | Following the same low oral dose, the fraction of dose escaping gut wall (F_G) was 1.8 % ± 0.48 % in P‑gp competent mice and 2.9 % ± 0.87 % in P‑gp deficient mice (P > 0.05). | 36 |
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 11.5 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 11.5 | null | false | null | null | null | null | rivaroxaban | p-gp/abcb1 | substrate | mdck-mdr1 bidirectional transport (10 μm rivaroxaban) | null | null | 31945490 | 0.95 | q3 | gut_wall | 143a816d0ce334548a0133a2eacdefc1f866a1de25ec258eebe66d46da7b323a | 171 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 143a816d0ce334548a0133a2eacdefc1f866a1de25ec258eebe66d46da7b323a | 0dd5329d4e7bc1ac83ae9a3dda17ee61561f63019df42e39f1e2dd7d0ce7636a | MDCK-MDR1 cells overexpress P‑gp; comparison made against Caco‑2 cells. | Bidirectional transport experiments showed that the efflux ratio of 10 µM rivaroxaban in MDCK‑MDR1 cells was 11.5, which is higher than the ratios observed in Caco‑2 cells. | 51 |
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 7.22 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 7.22 | null | false | null | null | null | null | rivaroxaban | bcrp/abcg2 | substrate | mdck-bcrp bidirectional transport (10 μm rivaroxaban) | null | null | 31945490 | 0.95 | q3 | gut_wall | fe9db41144f002b2374f2f714ff8b26c7839d76a383f1a758f2c9a92406acd54 | 172 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | fe9db41144f002b2374f2f714ff8b26c7839d76a383f1a758f2c9a92406acd54 | 3d771e901461dfe044c1ba4d720902ad5f023655609a733f0606d98c83602d54 | MDCK-BCRP cells overexpress BCRP; compared with Caco‑2 values. | In MDCK‑BCRP cells the efflux ratio of 10 µM rivaroxaban was 7.22, indicating BCRP‑mediated efflux. | 51 |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | 22.4 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | intestinal_metabolism | km | um | null | udp_glucuronosyltransferase_ugt | km | null | 22.4 | um | false | null | null | null | null | baicalein | udp‐glucuronosyltransferase (ugt) | substrate | caco-2 cell microsomes enzyme kinetic assay | caco-2 cells | null | 17227625 | 0.96 | q3 | gut_wall | 84491628071b9409bc8cb6f117d888087d0acfd5e7b69e62309730b9ba8425b6 | 192 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 84491628071b9409bc8cb6f117d888087d0acfd5e7b69e62309730b9ba8425b6 | 0eee1ef0266872c38d05ef7f2fe682fc626cc850d51a6ff9f5624c442b7fbbf3 | Values are mean ± s.d., n = 3. | In Caco-2 cell microsomes, baicalein showed a Vmax of 3.4 ± 0.78 nmol·min⁻¹·(mg protein)⁻¹ and an apparent Km of 22.4 ± 5.5 µM for UDP‑glucuronosyltransferase activity. | 38 |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | 22.4 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | intestinal_metabolism | km | um | null | udp_glucuronosyltransferase_ugt | km | null | 22.4 | um | true | 5.5 | unspecified_variation | null | null | baicalein | udp-glucuronosyltransferase (ugt) | substrate | caco-2 cell microsome glucuronidation assay | null | null | 17227625 | 0.95 | q3 | gut_wall | 5cb5d95dd3dd9c03257a422da752b5757f281d8c4a7509ac3bf8e807e5ac3b5f | 193 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 5cb5d95dd3dd9c03257a422da752b5757f281d8c4a7509ac3bf8e807e5ac3b5f | 8b9b0ab7368d59d529973854375267c5432125ac57775918d13a5819988886b6 | UDP‑glucuronosyltransferase activity toward baicalein in Caco‑2 cell microsomes showed a Vmax of 3.4 ± 0.78 nmol·min⁻¹·mg protein⁻¹ and a Km of 22.4 ± 5.5 µM. | 39 | |
O=[N+]([O-])c1ccc(O)cc1 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | 87.8 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | intestinal_metabolism | km | um | null | udp_glucuronosyltransferase_ugt | km | null | 87.8 | um | true | 23.8 | unspecified_variation | null | null | 4-nitrophenol | udp-glucuronosyltransferase (ugt) | substrate | caco-2 cell microsome glucuronidation assay | null | null | 17227625 | 0.95 | q3 | gut_wall | 4fce254ec5c583b2c6f1a0a5a4cb42640e30442ec5e7b66658b97aac46add9aa | 194 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4fce254ec5c583b2c6f1a0a5a4cb42640e30442ec5e7b66658b97aac46add9aa | be95732658b498d303b0d45697f97803ebe520a692889759ca4ed1fd75e6a455 | UDP‑glucuronosyltransferase activity toward 4‑nitrophenol in Caco‑2 cell microsomes showed a Vmax of 9.9 ± 0.74 nmol·min⁻¹·mg protein⁻¹ and a Km of 87.8 ± 23.8 µM. | 39 | |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | 23.9 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | intestinal_metabolism | km | um | null | udp_glucuronosyltransferase_ugt | km | human | 23.9 | um | false | null | null | null | null | baicalein | udp-glucuronosyltransferase (ugt) | substrate | human intestinal microsome glucuronidation assay | null | null | 17227625 | 0.95 | q3 | gut_wall | f3d962342587be9070332bd602a7e4aa260c7ad7dd9a1cf68b2f8eba7590ae80 | 195 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | f3d962342587be9070332bd602a7e4aa260c7ad7dd9a1cf68b2f8eba7590ae80 | 05b51c79efed6ff4f9f1d15ea90ab4e6f8217aedf4904fe790f132bbd9d8ae30 | In pooled human intestinal microsomes, the glucuronidation of baicalein displayed a Vmax of 10.8 nmol·min⁻¹·mg protein⁻¹ and a Km of 23.9 µM. | 39 | |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | 23.9 | q3.intestinal_metabolism.km.um.udp_glucuronosyltransferase_ugt | intestinal_metabolism | km | um | null | udp_glucuronosyltransferase_ugt | km | human | 23.9 | um | false | null | null | null | null | baicalein | udp‐glucuronosyltransferase (ugt) | substrate | human intestinal microsomes enzyme kinetic assay | human small intestine (pooled microsomes) | null | 17227625 | 0.95 | q3 | gut_wall | 921a3cc63a06eebba415b40dd75febcc04bebb28d5c497d3c799a097a39f89ed | 196 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 921a3cc63a06eebba415b40dd75febcc04bebb28d5c497d3c799a097a39f89ed | 371cfe69a67ed522effe590c227f25c8e717284199b7380a18767b116c21d4f5 | Human intestinal microsomes (pooled) gave a Vmax of 10.8 nmol·min⁻¹·(mg protein)⁻¹ and an apparent Km of 23.9 µM for baicalein glucuronidation. | 39 | |
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 18.2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 18.2 | null | false | null | null | null | null | C-K | p-gp/abcb1 | substrate | mdr1‐mdckii bidirectional transport | null | null | 22584255 | 0.96 | q3 | gut_wall | 4eb85f01014637dfd3cb1d7305ce6e799f2734b5d717f70503e6928abab61e14 | 232 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4eb85f01014637dfd3cb1d7305ce6e799f2734b5d717f70503e6928abab61e14 | 9132d4d92663ed4edcc541cbad0d3a2e443cb9cd95470735f9ea0065dc2434b0 | P_a‑b 1.84 ×10⁻⁶ cm/s; P_b‑a 33.64 ×10⁻⁶ cm/s | In MDR1‑MDCKII cells (P‑gp overexpressing), C-K displayed P_a‑b = 1.84 ± 0.70 ×10⁻⁶ cm/s and P_b‑a = 33.64 ± 8.08 ×10⁻⁶ cm/s, giving an efflux ratio of 18.2. | 41 |
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 2.9 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 2.9 | null | false | null | null | null | null | C-K | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | verapamil 50 μm (p‐gp inhibitor) | 22584255 | 0.95 | q3 | gut_wall | 0e4bacd3c9c633dea479a306bb168f9c32da1acac8ebaa616442b1225f29857c | 233 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 0e4bacd3c9c633dea479a306bb168f9c32da1acac8ebaa616442b1225f29857c | f282789e2ac4d8e2cd2ba9359cde2fc9b2dca957e1b7427b8f01ab316ee8d20a | P_a‑b 3.39 ×10⁻⁶ cm/s; P_b‑a 9.89 ×10⁻⁶ cm/s | When 50 µM verapamil was added as a P‑gp inhibitor, C-K permeability changed to P_a‑b = 3.39 ± 0.41 ×10⁻⁶ cm/s and P_b‑a = 9.89 ± 0.11 ×10⁻⁶ cm/s, giving an efflux ratio of 2.9. | 41 |
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 1.1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 1.1 | null | false | null | null | null | null | C-K | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | cyclosporine a 20 μm (p‐gp inhibitor) | 22584255 | 0.95 | q3 | gut_wall | 3dde65c2374c5937b776f4b2b4dc21298b9f21fad5aee03e3853c257e221d85b | 234 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 3dde65c2374c5937b776f4b2b4dc21298b9f21fad5aee03e3853c257e221d85b | 6ef796c7609f67e0acf291873742098cc4ee4cc705b874ac5fdb6094a36043d2 | P_a‑b 3.30 ×10⁻⁶ cm/s; P_b‑a 3.62 ×10⁻⁶ cm/s | With 20 µM cyclosporine A as a P‑gp inhibitor, C-K showed P_a‑b = 3.30 ± 0.67 ×10⁻⁶ cm/s and P_b‑a = 3.62 ± 0.22 ×10⁻⁶ cm/s, resulting in an efflux ratio of 1.1. | 41 |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 7 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 7 | null | false | null | null | null | null | Estrone-3-sulfate | bcrp/abcg2 | substrate | caco-2 cell monolayers | null | null | 29521222 | 0.95 | q3 | gut_wall | 1a5358f298b7e5175468107075b341e59cfacb22a969f8e082ed42179e11177e | 242 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 1a5358f298b7e5175468107075b341e59cfacb22a969f8e082ed42179e11177e | 50757ebc12b012d49b300c0d3d771234d62b564de99da9c9f49a0c06c0d671cc | BCRP substrate estrone-3-sulphate showed an efflux ratio of 7 in Caco-2 cells. | 2 | |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 1 | null | false | null | null | null | null | Estrone-3-sulfate | bcrp/abcg2 | substrate | caco-2 cell monolayers | null | presence of bcrp inhibitor fumitremorgin-c | 29521222 | 0.95 | q3 | gut_wall | 798540451532e1a8faed44e0d1c8bb8fe414ddce86c175d332f78931a80870a7 | 243 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 798540451532e1a8faed44e0d1c8bb8fe414ddce86c175d332f78931a80870a7 | 3c039aa8f7a0c431bc5b922febfcd73bf89588c91100301f4a6102d67ead0bee | In presence of BCRP inhibitor fumitremorgin-c, the efflux ratio of estrone-3-sulfate dropped to 1 in Caco-2 cells. | 2 | |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 4 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 4 | null | false | null | null | null | null | Rhodamine-123 | p-gp/abcb1 | substrate | caco-2 cell monolayers | null | null | 29521222 | 0.95 | q3 | gut_wall | 0f61402ab323b4d82cd02929c6bb4a90285ae5b7a29cb8fdf7732d1102ae8ebe | 244 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 0f61402ab323b4d82cd02929c6bb4a90285ae5b7a29cb8fdf7732d1102ae8ebe | d519d6b66ad97d673deaaf5afc8da62cb8c23c1c417b97d76e42f899a21e89d8 | Rhodamine-123, a fluorogenic probe substrate of MDR1 showed an efflux ratio of 4 in Caco-2 cells. | 2 | |
[CH2]O | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0 | cm/s | false | null | null | null | null | 5 | null | not substrate | caco-2 bidirectional transport assay | apical to basolateral and basolateral to apical (caco-2 monolayer) | null | 21630669 | 0.96 | q3 | gut_wall | 98d761f3b9e38d80332bd6d19e56df425850c85eb43832ad9ad02018b4c7b8ce | 396 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 98d761f3b9e38d80332bd6d19e56df425850c85eb43832ad9ad02018b4c7b8ce | 582d58fe7df3bf16b2d884aed36bd04565cace7e03cf5df47f0f2f19615d9c2b | Transport not affected by inhibitors; suggests paracellular diffusion. | Very similar Papp values of peptide 5 were observed for both directions of transport, and both efflux ratio and Papp values did not significantly change in the presence of different transporter inhibitors, indicating that it penetrated the cell membrane without the involvement of any transporters. | 33 |
[CH2]O | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000001 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000001 | cm/s | false | null | null | null | null | 5 | null | not substrate | caco-2 bidirectional transport assay | apical to basolateral and basolateral to apical (caco-2 monolayer) | null | 21630669 | 0.96 | q3 | gut_wall | 98d761f3b9e38d80332bd6d19e56df425850c85eb43832ad9ad02018b4c7b8ce | 396 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 98d761f3b9e38d80332bd6d19e56df425850c85eb43832ad9ad02018b4c7b8ce | 1dd9dee6adcd2233d2cb2fa3db93828f8079172873e0906af5f2229813801e33 | Transport not affected by inhibitors; suggests paracellular diffusion. | Very similar Papp values of peptide 5 were observed for both directions of transport, and both efflux ratio and Papp values did not significantly change in the presence of different transporter inhibitors, indicating that it penetrated the cell membrane without the involvement of any transporters. | 33 |
[CH2]C(C)C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 50 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 50 | null | false | null | null | null | null | 4 | mrp and bcrp transporters | substrate | caco-2 bidirectional transport assay | apical/basolateral (caco-2 monolayer) | presence of mrp inhibitors (probenecid, mk-571) and bcrp inhibitors (ftc, ko 143) | 21630669 | 0.94 | q3 | gut_wall | 4d1e3176394b61d90795e1ae8fd5bb865cf624ddb0e551bbc58d5748c1625bbe | 397 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4d1e3176394b61d90795e1ae8fd5bb865cf624ddb0e551bbc58d5748c1625bbe | 9a74ff714e34e5bdcf03ebc99d7d51b66acda651816b3946d0ea5053bd173885 | Combined MRP and BCRP inhibition nearly abolished active transport. | In the case of peptide 4, the ER value of 50 demonstrated the involvement of active transporters. The ER and/or Papp(B→A) values were reduced by either MRP inhibitors such as probenecid and MK‑571 or BCRP inhibitors such as fumitremorgin C (FTC) and Ko 143. Moreover, in the presence of both MRP and BCRP inhibitors, the... | 33 |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000017 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000017 | cm/s | true | 0 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | bd523975a5fb38df068a84bd4487c91cdaa595947cd96f605c9d546e100d1012 | 415 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | bd523975a5fb38df068a84bd4487c91cdaa595947cd96f605c9d546e100d1012 | 1f4f9adfee30397e74d7676ca4ee681bd36a87e02fbfae1575f483e73bf4a001 | In Caco-2 monolayers, REG at 20 µM displayed a Papp of 1.67 ± 0.04 × 10⁻⁵ cm/s from apical to basolateral (A→B) and 1.07 ± 0.02 × 10⁻⁵ cm/s from basolateral to apical (B→A), giving an efflux ratio (ER) of 0.64. | 16 | |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000011 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000011 | cm/s | true | 0 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | bd523975a5fb38df068a84bd4487c91cdaa595947cd96f605c9d546e100d1012 | 415 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | bd523975a5fb38df068a84bd4487c91cdaa595947cd96f605c9d546e100d1012 | 65f3d594987f36b2a4af729a088307b043a8b4e306773bbba2bb2f13f1288e8f | In Caco-2 monolayers, REG at 20 µM displayed a Papp of 1.67 ± 0.04 × 10⁻⁵ cm/s from apical to basolateral (A→B) and 1.07 ± 0.02 × 10⁻⁵ cm/s from basolateral to apical (B→A), giving an efflux ratio (ER) of 0.64. | 16 | |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000018 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000018 | cm/s | true | 0.000001 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | 2e64eac65fe387e36904bf13d89dd5c0c49bf53349c5b004e65e63efa6cf1db9 | 416 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 2e64eac65fe387e36904bf13d89dd5c0c49bf53349c5b004e65e63efa6cf1db9 | 8c6f32e956bc90df1e558e78d5f63bfd1e58325ccac758dee4e1d86a5b98e05b | In Caco-2 monolayers, REG at 40 µM showed Papp A→B 1.84 ± 0.12 × 10⁻⁵ cm/s, Papp B→A 1.19 ± 0.16 × 10⁻⁵ cm/s, and an ER of 0.65. | 16 | |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000012 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000012 | cm/s | true | 0.000002 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | 2e64eac65fe387e36904bf13d89dd5c0c49bf53349c5b004e65e63efa6cf1db9 | 416 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 2e64eac65fe387e36904bf13d89dd5c0c49bf53349c5b004e65e63efa6cf1db9 | d668f2bb6c5fac7efff62eda42fdaa217c4cdd3a1b52fb0f896da31290479ee8 | In Caco-2 monolayers, REG at 40 µM showed Papp A→B 1.84 ± 0.12 × 10⁻⁵ cm/s, Papp B→A 1.19 ± 0.16 × 10⁻⁵ cm/s, and an ER of 0.65. | 16 | |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000018 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000018 | cm/s | true | 0 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | 2ed8faad23ca5e70ebf2d851a6490f99f601493b02e565bd4d3aaa8ab0a87583 | 417 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 2ed8faad23ca5e70ebf2d851a6490f99f601493b02e565bd4d3aaa8ab0a87583 | 4d36286a494cd48f51469d0607c26a4f4bb22df02957d3f3a13f2cf5e6731df1 | In Caco-2 monolayers, REG at 60 µM exhibited Papp A→B 1.83 ± 0.04 × 10⁻⁵ cm/s, Papp B→A 1.46 ± 0.11 × 10⁻⁵ cm/s, and an ER of 0.80. | 16 | |
Cc1cc(C)c(O)c(C)c1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000015 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000015 | cm/s | true | 0.000001 | unspecified_variation | null | null | REG | null | null | caco-2 cell monolayer | null | null | 31089348 | 0.95 | q3 | gut_wall | 2ed8faad23ca5e70ebf2d851a6490f99f601493b02e565bd4d3aaa8ab0a87583 | 417 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 2ed8faad23ca5e70ebf2d851a6490f99f601493b02e565bd4d3aaa8ab0a87583 | 1944361d1f1f3008a644ed6886f8ed56c83871acddf5aa7a465de6d266ba5048 | In Caco-2 monolayers, REG at 60 µM exhibited Papp A→B 1.83 ± 0.04 × 10⁻⁵ cm/s, Papp B→A 1.46 ± 0.11 × 10⁻⁵ cm/s, and an ER of 0.80. | 16 | |
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)C2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 2 | null | false | null | null | null | null | Gomisin A | null | null | caco-2 bidirectional transport | null | present in schisandra extract or lignan mixture | 18284817 | 0.96 | q3 | gut_wall | 3f5a6e3d2b07b3551267a722a8c3ea52fca2309de88f3bf863239e759beff429 | 441 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 3f5a6e3d2b07b3551267a722a8c3ea52fca2309de88f3bf863239e759beff429 | 009cb4088b0b80083bad1193969a0f33da3b404717c40f5af90ca029694e40cc | Passive diffusion of gomisin A was altered in the presence of other extract constituents. | The transport of gomisin A in the Schisandra extract showed an efflux ratio of 2, while in the mixture of lignans it showed an efflux ratio of 2.2. | 39 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.86 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.86 | null | false | null | null | null | null | vardenafil | p-gp/abcb1 | substrate | mdckii-mdr1 bidirectional transport | null | null | 22775210 | 0.98 | q3 | gut_wall | 390739e9886b215afd00ec5d99a3d79bccc8acc087ca3cbb49add98f4cfdbd58 | 455 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 390739e9886b215afd00ec5d99a3d79bccc8acc087ca3cbb49add98f4cfdbd58 | 83365175428546c643579d12c8815c34f3e7c42b03b61f16e83b6191dea56096 | Concentration 5 µM; temperature 37 °C; MDCKII cells overexpressing P‑gp. | In MDCKII-MDR1 cells the basolateral‑to‑apical (B→A) transport rate of 5 µM vardenafil was 3.86‑fold greater than the apical‑to‑basolateral (A→B) rate, giving an efflux ratio of 3.86. | 31 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 4.12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 4.12 | null | false | null | null | null | null | vardenafil | bcrp/abcg2 | substrate | mdckii-bcrp bidirectional transport | null | null | 22775210 | 0.98 | q3 | gut_wall | f29f8931f8ca83eb1e6a3bede8d396be36ae3d5efd7a7ad8bd3026160f69e27c | 456 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | f29f8931f8ca83eb1e6a3bede8d396be36ae3d5efd7a7ad8bd3026160f69e27c | ee90cbc16ac1784abbd7f5e9aa005cf0bad309a7985b523c06e01ba80143b12a | Concentration 5 µM; temperature 37 °C; MDCKII cells overexpressing BCRP. | In MDCKII-BCRP cells the B→A transport rate of 5 µM vardenafil was 4.12‑fold greater than the A→B rate, yielding an efflux ratio of 4.12. | 31 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.27 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.27 | null | false | null | null | null | null | vardenafil | mrp2/abcc2 | substrate | mdckii-mrp2 bidirectional transport | null | null | 22775210 | 0.98 | q3 | gut_wall | adb56b579126da3810fecb5813f1b42e93dc1b524d91f24d035fca66f100dc4f | 457 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | adb56b579126da3810fecb5813f1b42e93dc1b524d91f24d035fca66f100dc4f | 704b2e4c067a200387415093731b05277c12be6e92cdb306a009192cb383b765 | Concentration 5 µM; temperature 37 °C; MDCKII cells overexpressing MRP2. | In MDCKII-MRP2 cells the B→A transport rate of 5 µM vardenafil was 3.27‑fold greater than the A→B rate, giving an efflux ratio of 3.27. | 31 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000002 | cm/s | false | null | null | null | null | vardenafil | p-gp, bcrp, mrp2 | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 22775210 | 0.96 | q3 | gut_wall | 390ac4033f9e5862e132e1d217a1b47d40edc9a5322de9ac9b68f3bcd891e046 | 465 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 390ac4033f9e5862e132e1d217a1b47d40edc9a5322de9ac9b68f3bcd891e046 | 416c9ed188b017ff869e8bdd5c28d055550c59723f34e66123732ad14c434e2d | Values are mean ± SD. | The authors report that vardenafil had an absorptive apparent permeability (Papp) of 1.94 ± 0.30 × 10⁻⁶ cm/s and a secretory Papp of 14.1 ± 1.96 × 10⁻⁶ cm/s, yielding an efflux ratio of 7.27, indicating it is a substrate for P‑gp, BCRP and MRP2. | 55 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000014 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000014 | cm/s | false | null | null | null | null | vardenafil | p-gp, bcrp, mrp2 | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 22775210 | 0.96 | q3 | gut_wall | 390ac4033f9e5862e132e1d217a1b47d40edc9a5322de9ac9b68f3bcd891e046 | 465 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 390ac4033f9e5862e132e1d217a1b47d40edc9a5322de9ac9b68f3bcd891e046 | c0e84089de174669e37c427facb4ef1e2fddf2c6456cabca45b99c7a6d98cebb | Values are mean ± SD. | The authors report that vardenafil had an absorptive apparent permeability (Papp) of 1.94 ± 0.30 × 10⁻⁶ cm/s and a secretory Papp of 14.1 ± 1.96 × 10⁻⁶ cm/s, yielding an efflux ratio of 7.27, indicating it is a substrate for P‑gp, BCRP and MRP2. | 55 |
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 7.27 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 7.27 | null | false | null | null | null | null | Vardenafil | null | null | caco‐2 bidirectional transport | null | null | 22775210 | 0.96 | q3 | gut_wall | 581f3223ad56aef502209494c9c175808b09d6de7e3ab3ce9f40e462c2511e64 | 468 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 581f3223ad56aef502209494c9c175808b09d6de7e3ab3ce9f40e462c2511e64 | f95701bf552aa0abdafe274dfd4d135d59bb2e5e7aae05d2cb4293bad3e25ab0 | Vardenafil displayed an efflux ratio of 7.27 (A→B vs B→A permeability) in Caco‑2 cell monolayers. | 57 | |
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 1.7 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 1.7 | null | true | 0.2 | unspecified_variation | null | null | atenolol | null | null | caco-2 bidirectional transport | null | ph gradient apical 6.5 / basolateral 7.4 | 12948010 | 0.94 | q3 | gut_wall | 8299d2ee586b53616e0e2530754ca9fccebd06068aa5ee7ad7e9206f50fd0564 | 497 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 8299d2ee586b53616e0e2530754ca9fccebd06068aa5ee7ad7e9206f50fd0564 | 7210f8e0db3b72b80599139e3794e49d6c0fa0ea2815f04b5d53b7e1b0a5a251 | Passive (pseudo‑) efflux ratios for the two weak bases under a pH gradient (apical 6.5 / basolateral 7.4) were 1.7 ± 0.2 for atenolol and 4.5 ± 0.4 for metoprolol. | 34 | |
Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 9 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 9 | null | true | null | null | null | null | apafant | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | null | 12128165 | 0.96 | q3 | gut_wall | 5ccf44fa29ac092a5d7c3359a9a5c5740c7104730de0267ffbfa7982c65b8bdb | 627 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 5ccf44fa29ac092a5d7c3359a9a5c5740c7104730de0267ffbfa7982c65b8bdb | ddbe40e1755dcdae206a48bce9d3a429b8f263bfa58c0722da39e61e8f981181 | Transport experiments in Caco-2 monolayers provided evidence that apafant is actively secreted by P‑gp, with a determined efflux ratio of about 9, similar to the ratio observed for digoxin. | 78 | |
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O | q3.gut_wall_escape.fg.percent | 0.03 | q3.gut_wall_escape.fg.percent | gut_wall_escape | fg | percent | null | null | null | rat | 0.03 | % | false | null | null | null | null | SASP | bcrp/abcg2 | substrate | portal vein‐cannulated rats (control, no inhibitor) | enterocytes | null | 23686319 | 0.95 | q3 | gut_wall | 09f06454a1c155b66166aca36a4e11a8862ed21e318e45ad7a57c9865b8e119f | 767 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 09f06454a1c155b66166aca36a4e11a8862ed21e318e45ad7a57c9865b8e119f | cf2aff872590dfc4a0a8930c840a637a5ba3e09f6621e1b0c4ef8274fa31e638 | Low solubility (0.0024 mg/ml) and low permeability also contributed to low oral absorption. | SASP was found not to be a substrate of P‑gp; however, 79 % of that taken up by enterocytes was effluxed to the apical surface by Bcrp, resulting in a very low Fa·Fg of only 0.03 in the control study. | 47 |
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | q3.intestinal_metabolism.vmax.pmol_min_insert.cyp3a4 | 3.2 | q3.intestinal_metabolism.vmax.pmol_min_insert.cyp3a4 | intestinal_metabolism | vmax | pmol_min_insert | null | cyp3a4 | vmax | null | 3.2 | pmol/min/insert | false | null | null | null | null | verapamil | cyp3a4 | substrate | caco-2 cell monolayers (d3‐treated, expressing cyp3a4) | null | cells pre‐treated with 1α,25‐dihydroxy vitamin d3 to induce cyp3a4 activity | 12729862 | 0.96 | q3 | gut_wall | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 830 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 75e3c9d52f99a379f633a97d29dd90006e596498cab4515a404ca16fd8ac70ed | Metabolism was enantioselective; formation plateaued after ~60 min. | In D3‑treated Caco-2 cells, CYP3A4‑mediated demethylation of verapamil produced R‑norverapamil with an apparent Vmax of 3.2 pmol/min/insert and Km of 0.7 µM, and S‑norverapamil with Vmax 5.4 pmol/min/insert and Km 0.6 µM. | 41 |
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | q3.intestinal_metabolism.km.um.cyp3a4 | 0.7 | q3.intestinal_metabolism.km.um.cyp3a4 | intestinal_metabolism | km | um | null | cyp3a4 | km | null | 0.7 | um | false | null | null | null | null | verapamil | cyp3a4 | substrate | caco-2 cell monolayers (d3‐treated, expressing cyp3a4) | null | cells pre‐treated with 1α,25‐dihydroxy vitamin d3 to induce cyp3a4 activity | 12729862 | 0.96 | q3 | gut_wall | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 830 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | e8fc0d291fcd95f2ef6ed545c6068ffd093be14eaf3bff948a7f5e8f771fe706 | Metabolism was enantioselective; formation plateaued after ~60 min. | In D3‑treated Caco-2 cells, CYP3A4‑mediated demethylation of verapamil produced R‑norverapamil with an apparent Vmax of 3.2 pmol/min/insert and Km of 0.7 µM, and S‑norverapamil with Vmax 5.4 pmol/min/insert and Km 0.6 µM. | 41 |
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | q3.intestinal_metabolism.vmax.pmol_min_insert.cyp3a4 | 5.4 | q3.intestinal_metabolism.vmax.pmol_min_insert.cyp3a4 | intestinal_metabolism | vmax | pmol_min_insert | null | cyp3a4 | vmax | null | 5.4 | pmol/min/insert | false | null | null | null | null | verapamil | cyp3a4 | substrate | caco-2 cell monolayers (d3‐treated, expressing cyp3a4) | null | cells pre‐treated with 1α,25‐dihydroxy vitamin d3 to induce cyp3a4 activity | 12729862 | 0.96 | q3 | gut_wall | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 830 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 7dc1932ff45df2f76966684e474618adb316122c2d01407efc87cc792fa42e1a | Metabolism was enantioselective; formation plateaued after ~60 min. | In D3‑treated Caco-2 cells, CYP3A4‑mediated demethylation of verapamil produced R‑norverapamil with an apparent Vmax of 3.2 pmol/min/insert and Km of 0.7 µM, and S‑norverapamil with Vmax 5.4 pmol/min/insert and Km 0.6 µM. | 41 |
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | q3.intestinal_metabolism.km.um.cyp3a4 | 0.6 | q3.intestinal_metabolism.km.um.cyp3a4 | intestinal_metabolism | km | um | null | cyp3a4 | km | null | 0.6 | um | false | null | null | null | null | verapamil | cyp3a4 | substrate | caco-2 cell monolayers (d3‐treated, expressing cyp3a4) | null | cells pre‐treated with 1α,25‐dihydroxy vitamin d3 to induce cyp3a4 activity | 12729862 | 0.96 | q3 | gut_wall | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | 830 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 32704f1e204d99702a91354b0d16dfe445179785056bb746f5187b707cef998a | ad7483d64baba0eac3c7af32d7a452a14ba875cf80a197aadcebc1bb534c4a13 | Metabolism was enantioselective; formation plateaued after ~60 min. | In D3‑treated Caco-2 cells, CYP3A4‑mediated demethylation of verapamil produced R‑norverapamil with an apparent Vmax of 3.2 pmol/min/insert and Km of 0.7 µM, and S‑norverapamil with Vmax 5.4 pmol/min/insert and Km 0.6 µM. | 41 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 5.53 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 5.53 | null | false | null | null | null | null | Rh123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | apical membrane | null | 24321342 | 0.96 | q3 | gut_wall | f135499379504cd59172937f9af4a499a66b8980bc4c30880c0a816f254d1caf | 949 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | f135499379504cd59172937f9af4a499a66b8980bc4c30880c0a816f254d1caf | 0a1885e0dcd67066692d2540a1ab1582bd1ce559d78a684ebdec8fb4a91e650c | Rhodamine 123 (Rh123) is selectively transported by P‑gp in Caco‑2 monolayers; bidirectional transport experiments showed an efflux ratio of 5.53, indicating strong P‑gp‑mediated efflux. | 51 | |
CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 1.6 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 1.6 | cm/s | true | 0.3 | unspecified_variation | null | null | UK-224,671 | null | null | caco-2 bidirectional transport | null | null | 11121732 | 0.97 | q3 | gut_wall | fae990fcfe255c07baf22800c8c65f41617dc75e8818e91e902c2cd2917a55b0 | 1,083 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | fae990fcfe255c07baf22800c8c65f41617dc75e8818e91e902c2cd2917a55b0 | 6e445e9dce865c29205f82bbca81135ecdd97f88b71a906fbc5f0cd748318e21 | Three determinations per concentration; mannitol flux <1 × 10⁻⁶ cm/s. | In Caco-2 cells, at 10 µM UK‑224,671 the apical‑to‑basolateral apparent permeability (Papp A→B) was 1.6 ± 0.3 ×10⁻⁶ cm/s, whereas the basolateral‑to‑apical permeability (Papp B→A) was 17.2 ± 2.2 ×10⁻⁶ cm/s. | 38 |
CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 1.4 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 1.4 | cm/s | true | 0.1 | unspecified_variation | null | null | UK-224,671 | null | null | caco-2 bidirectional transport | null | null | 11121732 | 0.97 | q3 | gut_wall | fb89c7e5e2913b5704e57fa1a17b605dd944214979fca9c512483a1cd9a649f8 | 1,084 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | fb89c7e5e2913b5704e57fa1a17b605dd944214979fca9c512483a1cd9a649f8 | f5a23761144b8d9ca270e2f18e1c967c8c2313a1a2ae530adfd105bd226a0bf7 | Three determinations per concentration; mannitol flux <1 × 10⁻⁶ cm/s. | In Caco-2 cells, at 25 µM UK‑224,671 the apical‑to‑basolateral apparent permeability (Papp A→B) was 1.4 ± 0.1 ×10⁻⁶ cm/s and the basolateral‑to‑apical permeability (Papp B→A) was 18.5 ± 1.8 ×10⁻⁶ cm/s. | 38 |
CS(=O)(=O)N1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 1 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 1 | cm/s | true | 0.2 | unspecified_variation | null | null | UK-224,671 | null | null | caco-2 bidirectional transport | null | null | 11121732 | 0.97 | q3 | gut_wall | 96394ff624d1214d0c715ad67a9a62a3d9cf15f5428f9710b26ec432489f3dd4 | 1,085 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 96394ff624d1214d0c715ad67a9a62a3d9cf15f5428f9710b26ec432489f3dd4 | 448df9fbb09768e188ae89d40031254c4159c3b3f6456ceca8484af0ff8af1d2 | Three determinations per concentration; mannitol flux <1 × 10⁻⁶ cm/s. | In Caco-2 cells, at 100 µM UK‑224,671 the apical‑to‑basolateral apparent permeability (Papp A→B) was 1.0 ± 0.2 ×10⁻⁶ cm/s and the basolateral‑to‑apical permeability (Papp B→A) was 16.7 ± 2.2 ×10⁻⁶ cm/s. | 38 |
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000005 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000005 | cm/s | false | null | null | null | null | Flavopiridol | null | null | caco-2 bidirectional transport | null | null | 22563974 | 0.96 | q3 | gut_wall | c083a3bd8fbe2f0d817a619ade7ce0f0690290049b2b91ef7af40467d668e216 | 1,146 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | c083a3bd8fbe2f0d817a619ade7ce0f0690290049b2b91ef7af40467d668e216 | ce7306921ecf4956a58a500a08143fb76559b4bb21b996dcfaa11cdb398e87e9 | In the Caco-2 cell culture model, the bidirectional permeability of FLAP was 0.47 × 10⁻⁵ cm/s to 1.53 × 10⁻⁵ cm/s. | 2 | |
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000015 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000015 | cm/s | false | null | null | null | null | Flavopiridol | null | null | caco-2 bidirectional transport | null | null | 22563974 | 0.96 | q3 | gut_wall | c083a3bd8fbe2f0d817a619ade7ce0f0690290049b2b91ef7af40467d668e216 | 1,146 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | c083a3bd8fbe2f0d817a619ade7ce0f0690290049b2b91ef7af40467d668e216 | a4c5c3f6e474bbc1e7884ba525e2c32cf380025465cc08a600b7cc629dec4d8c | In the Caco-2 cell culture model, the bidirectional permeability of FLAP was 0.47 × 10⁻⁵ cm/s to 1.53 × 10⁻⁵ cm/s. | 2 | |
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 2.2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 2.2 | null | false | null | null | null | null | atenolol | null | inconclusive | caco-2 bidirectional transport | null | null | 26286187 | 0.95 | q3 | gut_wall | de196691bd4e7c8f46a97b7090280ee82d70463e3655727ce202662b123d4040 | 1,235 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | de196691bd4e7c8f46a97b7090280ee82d70463e3655727ce202662b123d4040 | d501934c568ef6fb44f7094e0f46f3e3012fb81b8cde89972754791468e776a7 | Atenolol displayed an A→B Papp of 0.29 × 10⁻⁶ cm/s and a B→A Papp of 0.62 × 10⁻⁶ cm/s in Caco-2 cells, giving an efflux ratio of 2.2. | 45 | |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 8.97 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 8.97 | null | true | 2.51 | unspecified_variation | null | null | estrone-3-sulfate | bcrp | substrate | caco-2 bidirectional transport assay | caco-2 monolayer | 10‐day cultured caco-2 cells | 26952881 | 0.97 | q3 | gut_wall | d49b9148ee6ecf63411155f2abd30689904f00785001d251c4e14fc3a6b1d0a0 | 1,294 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | d49b9148ee6ecf63411155f2abd30689904f00785001d251c4e14fc3a6b1d0a0 | 03ec07ff76ac98361a99367e92a2024a0a8fc8e4f387504a840b7c75665a3f53 | BCRP protein abundance in these cells was 3.06 ± 0.22 fmol/µg protein. | In 10‑day cultured Caco‑2 monolayers, the BCRP probe estrone‑3‑sulfate showed an efflux ratio of 8.97 ± 2.51, indicating strong BCRP‑mediated efflux. | 0 |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.32 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.32 | null | true | 0.66 | unspecified_variation | null | null | estrone-3-sulfate | bcrp | substrate | caco-2 bidirectional transport assay | caco-2 monolayer | 29‐day cultured caco-2 cells | 26952881 | 0.96 | q3 | gut_wall | 7be505d3240d68b84e1f0e925e198645fcee22651bf88217d1d517925921c1b3 | 1,295 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 7be505d3240d68b84e1f0e925e198645fcee22651bf88217d1d517925921c1b3 | d366308abc2441e64f550898a3be950f5e9ba310b317167047f6828001c41394 | BCRP protein abundance in these cells was 1.28 ± 0.33 fmol/µg protein; BCRP mRNA was 1.5‑fold higher than in 10‑day cells. | In 29‑day cultured Caco‑2 monolayers, the BCRP probe estrone‑3‑sulfate showed a reduced efflux ratio of 3.32 ± 0.66, coinciding with lower BCRP protein abundance. | 0 |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 8.98 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 8.98 | null | false | null | null | null | null | E-3-S | bcrp | substrate | caco-2 bidirectional transport | caco-2 monolayer | null | 26952881 | 0.96 | q3 | gut_wall | 2275d03819a6f069d633b957b6e4608aeb917319e9f236c55e008e3f81993b3f | 1,296 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 2275d03819a6f069d633b957b6e4608aeb917319e9f236c55e008e3f81993b3f | 48c6052ac4bb42bedae671ee22cc44bf5940e940a9537398110039f3ae1adb6c | In 10‑day Caco‑2 monolayers, the bidirectional transport study of E‑3‑S showed an efflux ratio of 8.98, indicating strong secretory transport mediated by BCRP. | 20 | |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.32 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.32 | null | false | null | null | null | null | E-3-S | bcrp | substrate | caco-2 bidirectional transport | caco-2 monolayer | null | 26952881 | 0.96 | q3 | gut_wall | ac76dec7e9d0735e9564e6ee1834cefdcbf02bcd50e46d2d05494a04a3f1f8ba | 1,297 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ac76dec7e9d0735e9564e6ee1834cefdcbf02bcd50e46d2d05494a04a3f1f8ba | 7d8277bda3eac8552efb81133d5cf6ab986901fc482a47510ee5fabcebfb62a3 | In 29‑day Caco‑2 monolayers, the bidirectional transport study of E‑3‑S showed an efflux ratio of 3.32, reflecting lower BCRP‑mediated efflux compared with 10‑day cells. | 20 | |
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 250 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 250 | null | false | null | null | null | null | Vinblastine | p-gp/abcb1 | substrate | ipec-j2 mdr1 cell monolayer bidirectional transport | ipec-j2 mdr1 cell monolayer | null | 26651362 | 0.94 | q3 | gut_wall | 47cecb75e9c2ac21df699a3617a68304c3e19baa44e3ab363b8fd7d8e167ce61 | 1,307 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 47cecb75e9c2ac21df699a3617a68304c3e19baa44e3ab363b8fd7d8e167ce61 | 6b836eab500bfc4cbdf3934e4e3fe64a233e6b540fc9c4cdb32094ba15d9056b | All the P‑gp substrates displayed polarized transport across the model monolayer, with efflux ratios ranging from 3.5 (citalopram) to 250 (vinblastine). | 42 | |
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.5 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.5 | null | true | 0.4 | unspecified_variation | null | null | Atenolol | p-gp/abcb1 | substrate | ipec-j2 mdr1 bidirectional transport (cell monolayer) | null | null | 26651362 | 0.96 | q3 | gut_wall | 7604cd9361aa16623ffc2a2ba9d87ccdda8db4cd14a99b09641c84588957b9e3 | 1,314 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 7604cd9361aa16623ffc2a2ba9d87ccdda8db4cd14a99b09641c84588957b9e3 | 9b016c7724e302b06a936434e2e9bbfa1aceee80362aaf5b6ee48ffc384f3fe2 | The table shows that atenolol has an efflux ratio of 3.5 ± 0.4 in the IPEC-J2 MDR1 cell line, indicating polarized transport. | 50 | |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 0.9 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 0.9 | null | true | 0.1 | unspecified_variation | null | null | Estrone-3-sulfate | p-gp/abcb1 | not substrate | ipec-j2 mdr1 bidirectional transport (cell monolayer) | null | null | 26651362 | 0.96 | q3 | gut_wall | 628c88e84063bfb8fe876d972ff5358aef51d320db5166c09c1699a20ccdf7fd | 1,317 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 628c88e84063bfb8fe876d972ff5358aef51d320db5166c09c1699a20ccdf7fd | 469008a3eb53409554499a13046a07f79df406a1a68f98b363af326bf78da897 | Estrone‑3‑sulfate displayed an efflux ratio of 0.9 ± 0.1 in the IPEC‑J2 MDR1 cells, indicating no P‑gp mediated efflux. | 50 | |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C... | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 23.1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 23.1 | null | true | 4.8 | unspecified_variation | null | null | Ivermectin | p-gp/abcb1 | substrate | ipec-j2 mdr1 bidirectional transport (cell monolayer) | null | null | 26651362 | 0.95 | q3 | gut_wall | 9ae4286a70395e196660cd0f78d131914c373b985bca78b7197f31f3ae3d900d | 1,318 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 9ae4286a70395e196660cd0f78d131914c373b985bca78b7197f31f3ae3d900d | 1fd0f10c54337db5bbc1c60c81a844cf9ad5f3ab5a970a60e7ea04654677345f | Ivermectin exhibited an efflux ratio of 23.1 ± 4.8 in the IPEC‑J2 MDR1 cells. | 50 | |
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 5.6 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 5.6 | null | true | 1.2 | unspecified_variation | null | null | Verapamil | p-gp/abcb1 | substrate | ipec-j2 mdr1 bidirectional transport (cell monolayer) | null | null | 26651362 | 0.95 | q3 | gut_wall | dac3694b44977fb7ba585dc4471109e225e17ad37e04cb489dd79a6c8a2c6f1c | 1,319 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | dac3694b44977fb7ba585dc4471109e225e17ad37e04cb489dd79a6c8a2c6f1c | e47bc4a2d5a3e366031c7a1e934087341803bec87298dd1d94720a7fefa91d2f | Verapamil showed an efflux ratio of 5.6 ± 1.2 in the IPEC‑J2 MDR1 cell line. | 50 | |
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 249 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 249 | null | false | null | null | null | null | vinblastine | p-gp/abcb1 | substrate | ipec-j2 mdr1 bidirectional transport | null | null | 26651362 | 0.98 | q3 | gut_wall | 63dd4b2dca7b3b30426fff053c11f6d780e9ea4790cc3764f823213f5ef19ce3 | 1,323 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 63dd4b2dca7b3b30426fff053c11f6d780e9ea4790cc3764f823213f5ef19ce3 | 7cde3aba54d06fb780d094a3a0c79ee0e478b4ad63d028f6eb9acaba5597bfdf | The passive permeability ranged from 0.045 × 10⁻⁶ cm·s⁻¹ (mannitol) to 55 × 10⁻⁶ cm·s⁻¹ (diazepam), and the dynamic range of efflux ratios extended from 1 (propranolol) to 249 (vinblastine) in IPEC-J2 MDR1 monolayers. | 62 | |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 50 μm verapamil (ver) | 30405825 | 0.97 | q3 | gut_wall | ca8b97ca3fa697b289afcbb735889316210c24b87c4880d64c0cf5cf3cfede0c | 1,347 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ca8b97ca3fa697b289afcbb735889316210c24b87c4880d64c0cf5cf3cfede0c | 55a92768a88b396d281a2dff3a0f3331aadd988517c9bfbfea8b6722b4f5e7d3 | Rho-123 concentration 5 µM. | With 50 µM verapamil (VER) added, the Caco-2 transport of 5 µM Rho-123 gave Papp (A→B) 3.18 ± 0.40 ×10⁻⁶ cm/s, Papp (B→A) 2.37 ± 0.18 ×10⁻⁶ cm/s and an efflux ratio of 0.75 ± 0.10. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000002 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 50 μm verapamil (ver) | 30405825 | 0.97 | q3 | gut_wall | ca8b97ca3fa697b289afcbb735889316210c24b87c4880d64c0cf5cf3cfede0c | 1,347 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ca8b97ca3fa697b289afcbb735889316210c24b87c4880d64c0cf5cf3cfede0c | 5ff74905b98b103800151e62d757e79039399f7c7f1ff0c15643fd34e4888557 | Rho-123 concentration 5 µM. | With 50 µM verapamil (VER) added, the Caco-2 transport of 5 µM Rho-123 gave Papp (A→B) 3.18 ± 0.40 ×10⁻⁶ cm/s, Papp (B→A) 2.37 ± 0.18 ×10⁻⁶ cm/s and an efflux ratio of 0.75 ± 0.10. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine (≈8.0 μm) | 30405825 | 0.97 | q3 | gut_wall | a9560ba2cd2c31768b2ff4b51910cb31d8cf19feed5f88a2ca297fe685cb1fa3 | 1,348 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | a9560ba2cd2c31768b2ff4b51910cb31d8cf19feed5f88a2ca297fe685cb1fa3 | ba05033cb94940a6bb261688cd77ebd057f890a36b237d602e85a8466462cba4 | Rho-123 concentration 5 µM. | When 5 µg/ml tetrandrine (≈8.0 µM) was co‑incubated with 5 µM Rho-123, the Caco-2 Papp (A→B) was 3.19 ± 0.37 ×10⁻⁶ cm/s, Papp (B→A) 2.38 ± 0.24 ×10⁻⁶ cm/s and the efflux ratio 0.76 ± 0.11. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000002 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine (≈8.0 μm) | 30405825 | 0.97 | q3 | gut_wall | a9560ba2cd2c31768b2ff4b51910cb31d8cf19feed5f88a2ca297fe685cb1fa3 | 1,348 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | a9560ba2cd2c31768b2ff4b51910cb31d8cf19feed5f88a2ca297fe685cb1fa3 | e2a47d13b7567682f262916aa4ca00b3605483b2db7113caf10ff45fd48c6b2d | Rho-123 concentration 5 µM. | When 5 µg/ml tetrandrine (≈8.0 µM) was co‑incubated with 5 µM Rho-123, the Caco-2 Papp (A→B) was 3.19 ± 0.37 ×10⁻⁶ cm/s, Papp (B→A) 2.38 ± 0.24 ×10⁻⁶ cm/s and the efflux ratio 0.76 ± 0.11. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐aromatic (ta, ≈7.2 μm) | 30405825 | 0.96 | q3 | gut_wall | 4b69288cc21e5b1426d9b2192e475331b16109be211d33cb72746367705458a3 | 1,349 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4b69288cc21e5b1426d9b2192e475331b16109be211d33cb72746367705458a3 | 24f45446b3da3a5872e0e41945c6c182e84a8e031542f3edbf103a94cc15ec5a | Rho-123 concentration 5 µM. | In the presence of 5 µg/ml tetrandrine‑aromatic (TA, ≈7.2 µM), 5 µM Rho-123 displayed Papp (A→B) 3.38 ± 0.48 ×10⁻⁶ cm/s, Papp (B→A) 3.94 ± 0.44 ×10⁻⁶ cm/s and an efflux ratio of 1.18 ± 0.16. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000004 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000004 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐aromatic (ta, ≈7.2 μm) | 30405825 | 0.96 | q3 | gut_wall | 4b69288cc21e5b1426d9b2192e475331b16109be211d33cb72746367705458a3 | 1,349 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4b69288cc21e5b1426d9b2192e475331b16109be211d33cb72746367705458a3 | 186c91133a93c3ec69a201410236f18379e773f2f24da2c25304c2f729d8e680 | Rho-123 concentration 5 µM. | In the presence of 5 µg/ml tetrandrine‑aromatic (TA, ≈7.2 µM), 5 µM Rho-123 displayed Papp (A→B) 3.38 ± 0.48 ×10⁻⁶ cm/s, Papp (B→A) 3.94 ± 0.44 ×10⁻⁶ cm/s and an efflux ratio of 1.18 ± 0.16. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐toluene (tt, ≈7.0 μm) | 30405825 | 0.96 | q3 | gut_wall | a729510221eda19e6448beb668e1724df0325abb924d3b26b602d07e1d3787eb | 1,350 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | a729510221eda19e6448beb668e1724df0325abb924d3b26b602d07e1d3787eb | 325274213ab78c9d82293d2374ef197036689cac96a30601db3fd5d5ac23ce77 | Rho-123 concentration 5 µM. | Co‑incubation with 5 µg/ml tetrandrine‑toluene (TT, ≈7.0 µM) gave 5 µM Rho-123 Papp (A→B) 2.73 ± 0.18 ×10⁻⁶ cm/s, Papp (B→A) 4.18 ± 0.39 ×10⁻⁶ cm/s and an efflux ratio of 1.54 ± 0.15. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000004 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000004 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐toluene (tt, ≈7.0 μm) | 30405825 | 0.96 | q3 | gut_wall | a729510221eda19e6448beb668e1724df0325abb924d3b26b602d07e1d3787eb | 1,350 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | a729510221eda19e6448beb668e1724df0325abb924d3b26b602d07e1d3787eb | c538aa628ed44728bed9b4c9d1d7ce168923f92352672e948e92afa62059e53b | Rho-123 concentration 5 µM. | Co‑incubation with 5 µg/ml tetrandrine‑toluene (TT, ≈7.0 µM) gave 5 µM Rho-123 Papp (A→B) 2.73 ± 0.18 ×10⁻⁶ cm/s, Papp (B→A) 4.18 ± 0.39 ×10⁻⁶ cm/s and an efflux ratio of 1.54 ± 0.15. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐pyridine (tp, ≈7.1 μm) | 30405825 | 0.96 | q3 | gut_wall | 8cbc6f7f97cfba5b5a0d1e0c44d68b6259b013eb55fd307c42200c306e04efc4 | 1,351 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 8cbc6f7f97cfba5b5a0d1e0c44d68b6259b013eb55fd307c42200c306e04efc4 | a97ad2ff4936b2e44371aea804c210f245ac8b58b09f416981cb1537ad1ab24f | Rho-123 concentration 5 µM. | With 5 µg/ml tetrandrine‑pyridine (TP, ≈7.1 µM) added, 5 µM Rho-123 showed Papp (A→B) 2.78 ± 0.18 ×10⁻⁶ cm/s, Papp (B→A) 2.97 ± 0.27 ×10⁻⁶ cm/s and an efflux ratio of 1.07 ± 0.09. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐pyridine (tp, ≈7.1 μm) | 30405825 | 0.96 | q3 | gut_wall | 8cbc6f7f97cfba5b5a0d1e0c44d68b6259b013eb55fd307c42200c306e04efc4 | 1,351 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 8cbc6f7f97cfba5b5a0d1e0c44d68b6259b013eb55fd307c42200c306e04efc4 | fdca596ef9bd3753de520e8f29bc02345dc45fd245c051b039617260531fbc05 | Rho-123 concentration 5 µM. | With 5 µg/ml tetrandrine‑pyridine (TP, ≈7.1 µM) added, 5 µM Rho-123 showed Papp (A→B) 2.78 ± 0.18 ×10⁻⁶ cm/s, Papp (B→A) 2.97 ± 0.27 ×10⁻⁶ cm/s and an efflux ratio of 1.07 ± 0.09. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐fluobenzene (tf, ≈7.0 μm) | 30405825 | 0.96 | q3 | gut_wall | 45287c23556a01299f7b3c8640d6fe52d8042b6ebb7a4237b169d0baf1bacbd8 | 1,352 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 45287c23556a01299f7b3c8640d6fe52d8042b6ebb7a4237b169d0baf1bacbd8 | dbef729529ecc2405862d69336afba4d0cf2d7849dfe2d5d76af5bf09e6282a4 | Rho-123 concentration 5 µM. | Addition of 5 µg/ml tetrandrine‑fluobenzene (TF, ≈7.0 µM) resulted in 5 µM Rho-123 Papp (A→B) 3.04 ± 0.31 ×10⁻⁶ cm/s, Papp (B→A) 2.34 ± 0.21 ×10⁻⁶ cm/s and an efflux ratio of 0.78 ± 0.10. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000002 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐fluobenzene (tf, ≈7.0 μm) | 30405825 | 0.96 | q3 | gut_wall | 45287c23556a01299f7b3c8640d6fe52d8042b6ebb7a4237b169d0baf1bacbd8 | 1,352 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 45287c23556a01299f7b3c8640d6fe52d8042b6ebb7a4237b169d0baf1bacbd8 | 9b08b732d97b20134796bde240854a9ff9f24fe9babbbea510bab482167b9f47 | Rho-123 concentration 5 µM. | Addition of 5 µg/ml tetrandrine‑fluobenzene (TF, ≈7.0 µM) resulted in 5 µM Rho-123 Papp (A→B) 3.04 ± 0.31 ×10⁻⁶ cm/s, Papp (B→A) 2.34 ± 0.21 ×10⁻⁶ cm/s and an efflux ratio of 0.78 ± 0.10. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐trifluobenzene (ttf, ≈6.5 μm) | 30405825 | 0.96 | q3 | gut_wall | 99b5fced66aed9502d816dcd127623bc38179a34258de8d94afbabe7d4a69c60 | 1,353 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 99b5fced66aed9502d816dcd127623bc38179a34258de8d94afbabe7d4a69c60 | 08169f69093e858badf73341df90f2ffc37bb3695090e363fd83f8d3825f47ae | Rho-123 concentration 5 µM. | When 5 µg/ml tetrandrine‑trifluobenzene (TTF, ≈6.5 µM) was present, 5 µM Rho-123 displayed Papp (A→B) 2.80 ± 0.20 ×10⁻⁶ cm/s, Papp (B→A) 2.83 ± 0.25 ×10⁻⁶ cm/s and an efflux ratio of 1.01 ± 0.11. | 46 |
COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12.[Cl-] | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | Rho-123 | p-gp/abcb1 | substrate | caco-2 bidirectional transport assay | null | 5 μg/ml tetrandrine‐trifluobenzene (ttf, ≈6.5 μm) | 30405825 | 0.96 | q3 | gut_wall | 99b5fced66aed9502d816dcd127623bc38179a34258de8d94afbabe7d4a69c60 | 1,353 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 99b5fced66aed9502d816dcd127623bc38179a34258de8d94afbabe7d4a69c60 | a46506b116337b7e9f06d7eb5896089cf5b6a5a23faf213052b31a21ad2f6577 | Rho-123 concentration 5 µM. | When 5 µg/ml tetrandrine‑trifluobenzene (TTF, ≈6.5 µM) was present, 5 µM Rho-123 displayed Papp (A→B) 2.80 ± 0.20 ×10⁻⁶ cm/s, Papp (B→A) 2.83 ± 0.25 ×10⁻⁶ cm/s and an efflux ratio of 1.01 ± 0.11. | 46 |
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 3.28 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 3.28 | null | false | null | null | null | null | bazedoxifene | pgp/abcb1 | substrate | caco-2 bidirectional transport | null | null | 25631963 | 0.96 | q3 | gut_wall | e710a4eb17083c6c7272fb4847cc314522c319a5268d1f5686bcd77b788464dd | 1,531 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | e710a4eb17083c6c7272fb4847cc314522c319a5268d1f5686bcd77b788464dd | ac9255cd09fe0ba8caf8d32e3def8c00c3e10e8e31612e6147b215c949d228d5 | Efflux ratio decreased when co‑incubated with verapamil, MK571 or Ko143, indicating involvement of Pgp, MRPs and BCRP. | The efflux ratio for bazedoxifene (ER) of 3.28 (Table 2) showed that bazedoxifene is actively excreted from the Caco-2 cells by efflux transporters. A significant decrease of ER was observed in the presence of verapamil (a Pgp inhibitor), MK571 (an MRP inhibitor) or Ko143 (a BCRP inhibitor), suggesting that bazedoxifen... | 52 |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/s | false | null | null | null | null | E3S | null | null | caco-2 bidirectional transport | null | null | 18272304 | 0.96 | q3 | gut_wall | 3224dbceb2c14a6c9600bf02e867bb0eb3e52cbb008b3f4c4ad8268b4962d57a | 1,551 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 3224dbceb2c14a6c9600bf02e867bb0eb3e52cbb008b3f4c4ad8268b4962d57a | daad4b524b6ac3969c3a9390ea2210c199db6358b7cef120e772933c346bdbf0 | Substantial B‑to‑A transport indicating efflux. | In Caco-2 cells, estrone‑3‑sulfate (E3S) showed Papp 2.91 ×10⁻⁶ cm/s (A‑to‑B) and 31.0 ×10⁻⁶ cm/s (B‑to‑A), efflux ratio 11. | 42 |
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000031 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000031 | cm/s | false | null | null | null | null | E3S | null | null | caco-2 bidirectional transport | null | null | 18272304 | 0.96 | q3 | gut_wall | 3224dbceb2c14a6c9600bf02e867bb0eb3e52cbb008b3f4c4ad8268b4962d57a | 1,551 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 3224dbceb2c14a6c9600bf02e867bb0eb3e52cbb008b3f4c4ad8268b4962d57a | 1da8150f0b29711b053464b28a59c295d8cfccce430927903ef704ae3814e10d | Substantial B‑to‑A transport indicating efflux. | In Caco-2 cells, estrone‑3‑sulfate (E3S) showed Papp 2.91 ×10⁻⁶ cm/s (A‑to‑B) and 31.0 ×10⁻⁶ cm/s (B‑to‑A), efflux ratio 11. | 42 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 0.8 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | human | 0.8 | null | false | null | null | null | null | pravastatin | oatp2b1 | null | human jejunum ussing chamber | jejunum | presence of oatp2b1 inhibitors naringin and rifampicin | 28408210 | 0.96 | q3 | gut_wall | 788f3e7cc0742fc62e128f4a164977cd5687b50a0472aaa397b547a4725fa5d3 | 1,574 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 788f3e7cc0742fc62e128f4a164977cd5687b50a0472aaa397b547a4725fa5d3 | 28286ece23d0becc33527d5563e023027d6e856173263cd2f7f5b28990dbe953 | In the presence of the OATP2B1 inhibitors naringin and rifampicin, the efflux ratio for pravastatin was reduced to 0.8. | 30 | |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 2.7 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 2.7 | null | true | 0.7 | unspecified_variation | null | null | pravastatin | null | null | caco-2 bidirectional transport assay | null | null | 28408210 | 0.96 | q3 | gut_wall | e478a69b9b19bd2855b346b6061e5f118b805b2bd2bb4f83a5a8192224079574 | 1,580 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | e478a69b9b19bd2855b346b6061e5f118b805b2bd2bb4f83a5a8192224079574 | a1c485facaca2db8017568277da7139e385a842f7d6f52d3e84c8700638e9e15 | In Caco-2 cells, pravastatin showed a basolateral‑to‑apical transport with an efflux ratio of 2.7 ± 0.7. | 31 | |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 2.1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 2.1 | null | true | 0.6 | unspecified_variation | null | null | pravastatin | abcg2 | null | caco-2 bidirectional transport assay | null | presence of abcg2 inhibitor ko143 | 28408210 | 0.96 | q3 | gut_wall | 351dad41f582821c6fda9f17dac3393ec8b215cda1d110cc8475bfe7fb79ccfb | 1,581 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 351dad41f582821c6fda9f17dac3393ec8b215cda1d110cc8475bfe7fb79ccfb | e057a7a85a7fafae02740e02d85cd9d73c81c4fe1f87cf5734b1e1c76f0e9ea3 | In the presence of the ABCG2 inhibitor Ko143, the pravastatin efflux ratio in Caco-2 cells was reduced to 2.1 ± 0.6. | 31 | |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 1.1 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 1.1 | null | true | 0.1 | unspecified_variation | null | null | pravastatin | null | null | caco-2 bidirectional transport assay | null | combination of oatp2b1 inhibitors rifampicin, naringin and abcg2 inhibitor ko143 | 28408210 | 0.96 | q3 | gut_wall | 7ee972eb79ea1f1acea115d4716fc8df0aba417bbabded8ab017e095ae1cdda4 | 1,582 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 7ee972eb79ea1f1acea115d4716fc8df0aba417bbabded8ab017e095ae1cdda4 | 8c45f117e0fd15bf9368696e95b8aa68ff1399454766fd1fd58554dc1bd4cb49 | When the combination of rifampicin, naringin and Ko143 was added, the pravastatin efflux ratio in Caco-2 cells was significantly reduced to 1.1 ± 0.1. | 31 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C1C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 8.7 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 8.7 | null | false | null | null | null | null | everolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | apical membrane | null | 21631587 | 0.97 | q3 | gut_wall | 30778bc451635182b5f084a82a974d519dfc3b7d4b8f293ff74de034e360fcae | 1,591 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 30778bc451635182b5f084a82a974d519dfc3b7d4b8f293ff74de034e360fcae | 5c5bff0011d13ab8e52cc8fcfaa559b8755f67b20b3ac17ea72e3906f39f2979 | Polarized transport observed in Caco-2 monolayers. | In Caco-2 cells, everolimus showed a polarized transport with an 8.7‑fold higher apparent permeability in the basal‑to‑apical direction (Papp B→A) compared with the apical‑to‑basal direction (Papp A→B), indicating strong apical efflux. | 0 |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 5.9 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | null | 5.9 | null | false | null | null | null | null | sirolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | apical membrane | null | 21631587 | 0.96 | q3 | gut_wall | bb93aed188df5805943aad1b79c99fd7c8581397008b56cd754d8d05938ebc9f | 1,592 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | bb93aed188df5805943aad1b79c99fd7c8581397008b56cd754d8d05938ebc9f | d802850e295da06344a0dd13babf8df986d83e6532a55db96f3d29abd528f068 | Polarized transport observed in Caco-2 monolayers. | In Caco-2 cells, sirolimus displayed a polarized transport with a 5.9‑fold higher apparent permeability in the basal‑to‑apical direction (Papp B→A) relative to the apical‑to‑basal direction (Papp A→B), reflecting apical efflux. | 0 |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C1C | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000001 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000001 | cm/s | true | 0 | unspecified_variation | null | null | everolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | gf120918 2 μm (p‐gp inhibitor) | 21631587 | 0.98 | q3 | gut_wall | 08769c639db2d374d55de21baca985fdfe75fa99b5db98730d21c70dd30f106a | 1,596 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 08769c639db2d374d55de21baca985fdfe75fa99b5db98730d21c70dd30f106a | d1400f1d67174fea1a0460c11ad6d32794a1e2c137fe461730429f94c2e005d0 | Everolimus (EVR) 1 µM in the presence of the P‑gp inhibitor GF120918 (2 µM) showed Papp A→B 0.99 ± 0.04 ×10⁻⁶ cm/s, Papp B→A 2.74 ± 0.36 ×10⁻⁶ cm/s and an efflux ratio of 2.77 ± 0.47. | 50 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C1C | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | everolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | gf120918 2 μm (p‐gp inhibitor) | 21631587 | 0.98 | q3 | gut_wall | 08769c639db2d374d55de21baca985fdfe75fa99b5db98730d21c70dd30f106a | 1,596 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 08769c639db2d374d55de21baca985fdfe75fa99b5db98730d21c70dd30f106a | bb05549cea1a085d8c396fc6349770e18e069316c3a826a66d746dc2e735b9a7 | Everolimus (EVR) 1 µM in the presence of the P‑gp inhibitor GF120918 (2 µM) showed Papp A→B 0.99 ± 0.04 ×10⁻⁶ cm/s, Papp B→A 2.74 ± 0.36 ×10⁻⁶ cm/s and an efflux ratio of 2.77 ± 0.47. | 50 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C1C | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000002 | cm/s | true | 0 | unspecified_variation | null | null | everolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | tacrolimus 10 μm | 21631587 | 0.98 | q3 | gut_wall | afb56cb1559db9946533d7209812b4ac926753d7d8ee6d28039497e70f2d3af6 | 1,597 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | afb56cb1559db9946533d7209812b4ac926753d7d8ee6d28039497e70f2d3af6 | 07b236bb0fdfe02388a44ef0c2884fab4a0a0a2106a9653c5f2795450789bd65 | Everolimus (EVR) 1 µM with tacrolimus (10 µM) showed Papp A→B 2.48 ± 0.19 ×10⁻⁶ cm/s, Papp B→A 3.11 ± 0.28 ×10⁻⁶ cm/s and an efflux ratio of 1.26 ± 0.07. | 50 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C1C | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000003 | cm/s | true | 0 | unspecified_variation | null | null | everolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | tacrolimus 10 μm | 21631587 | 0.98 | q3 | gut_wall | afb56cb1559db9946533d7209812b4ac926753d7d8ee6d28039497e70f2d3af6 | 1,597 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | afb56cb1559db9946533d7209812b4ac926753d7d8ee6d28039497e70f2d3af6 | ec2e9e41fb5533dbf001f4f6c10c6275efa15fdc8aa44a41ea58a4d853d50799 | Everolimus (EVR) 1 µM with tacrolimus (10 µM) showed Papp A→B 2.48 ± 0.19 ×10⁻⁶ cm/s, Papp B→A 3.11 ± 0.28 ×10⁻⁶ cm/s and an efflux ratio of 1.26 ± 0.07. | 50 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000001 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000001 | cm/s | true | 0 | unspecified_variation | null | null | sirolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | gf120918 2 μm (p‐gp inhibitor) | 21631587 | 0.98 | q3 | gut_wall | 711b32b60995cb22275df5cff6b0054d2207e6c4703f20495335e308288b9d15 | 1,598 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 711b32b60995cb22275df5cff6b0054d2207e6c4703f20495335e308288b9d15 | 8567e28d312c7d9b517bc22b6afb815a8544b31299f693228ccc6a07474f4654 | Sirolimus (SRL) 1 µM with GF120918 (2 µM) gave Papp A→B 0.84 ± 0.19 ×10⁻⁶ cm/s, Papp B→A 3.27 ± 0.56 ×10⁻⁶ cm/s and an efflux ratio of 4.16 ± 1.81. | 50 | |
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000003 | cm/s | true | 0.000001 | unspecified_variation | null | null | sirolimus | p-gp/abcb1 | substrate | caco-2 bidirectional transport | null | gf120918 2 μm (p‐gp inhibitor) | 21631587 | 0.98 | q3 | gut_wall | 711b32b60995cb22275df5cff6b0054d2207e6c4703f20495335e308288b9d15 | 1,598 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 711b32b60995cb22275df5cff6b0054d2207e6c4703f20495335e308288b9d15 | c922c8e8b4ef9651580e71065a754e0e0a46859c765db4f41312bdabf042a9c4 | Sirolimus (SRL) 1 µM with GF120918 (2 µM) gave Papp A→B 0.84 ± 0.19 ×10⁻⁶ cm/s, Papp B→A 3.27 ± 0.56 ×10⁻⁶ cm/s and an efflux ratio of 4.16 ± 1.81. | 50 | |
N#Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/sec | false | null | null | null | null | P57 | p-gp/abcb1; mrp | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 18612942 | 0.96 | q3 | gut_wall | 9efb6e238ffc0cecbf849ac1a6208eef6e3c6ea4997a61c1ccf3ff02422dac2e | 1,627 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 9efb6e238ffc0cecbf849ac1a6208eef6e3c6ea4997a61c1ccf3ff02422dac2e | be5b50c86485792cd848bef655f5ab5b8f4f5a2806a07b7f37bafb74f1d5eb9d | P57 100 µM, 2 h incubation, n=3 | At a P57 concentration of 100 µM, the Caco-2 bidirectional transport assay gave an absorptive permeability (Papp A‑B) of 2.73 × 10⁻⁶ cm/sec and a secretory permeability (Papp B‑A) of 8.41 × 10⁻⁶ cm/sec, resulting in an efflux ratio of 3.1. | 40 |
N#Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000008 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000008 | cm/sec | false | null | null | null | null | P57 | p-gp/abcb1; mrp | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 18612942 | 0.96 | q3 | gut_wall | 9efb6e238ffc0cecbf849ac1a6208eef6e3c6ea4997a61c1ccf3ff02422dac2e | 1,627 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 9efb6e238ffc0cecbf849ac1a6208eef6e3c6ea4997a61c1ccf3ff02422dac2e | cc2d5cefcc851a3ecb626fa093c1fabc523470caf4bf2f0b5effeabafb95ed68 | P57 100 µM, 2 h incubation, n=3 | At a P57 concentration of 100 µM, the Caco-2 bidirectional transport assay gave an absorptive permeability (Papp A‑B) of 2.73 × 10⁻⁶ cm/sec and a secretory permeability (Papp B‑A) of 8.41 × 10⁻⁶ cm/sec, resulting in an efflux ratio of 3.1. | 40 |
N#Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1 | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000003 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000003 | cm/sec | false | null | null | null | null | P57 | p-gp/abcb1; mrp | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 18612942 | 0.95 | q3 | gut_wall | b93521dae48147e626b640062350d7f4bfb4f6cb2880b3327bb0b8df1b98c92c | 1,628 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | b93521dae48147e626b640062350d7f4bfb4f6cb2880b3327bb0b8df1b98c92c | 7c3773950deadde25bb99b9177cf45df5894583595bfb3e1c72824999be0a577 | P57 200 µM, 2 h incubation, n=3 | At a P57 concentration of 200 µM, the Caco-2 bidirectional transport assay gave an absorptive permeability (Papp A‑B) of 3.42 × 10⁻⁶ cm/sec and a secretory permeability (Papp B‑A) of 13.01 × 10⁻⁶ cm/sec, resulting in an efflux ratio of 3.8. | 40 |
N#Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1 | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000013 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000013 | cm/sec | false | null | null | null | null | P57 | p-gp/abcb1; mrp | substrate | caco-2 bidirectional transport assay | caco-2 cell monolayer | null | 18612942 | 0.95 | q3 | gut_wall | b93521dae48147e626b640062350d7f4bfb4f6cb2880b3327bb0b8df1b98c92c | 1,628 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | b93521dae48147e626b640062350d7f4bfb4f6cb2880b3327bb0b8df1b98c92c | 4438835ff889ad4faa3b7be47228daf6a1265383e05ae82fc68f3a4309aa65a4 | P57 200 µM, 2 h incubation, n=3 | At a P57 concentration of 200 µM, the Caco-2 bidirectional transport assay gave an absorptive permeability (Papp A‑B) of 3.42 × 10⁻⁶ cm/sec and a secretory permeability (Papp B‑A) of 13.01 × 10⁻⁶ cm/sec, resulting in an efflux ratio of 3.8. | 40 |
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | 0.02 | q3.intestinal_transport.efflux_ratio.dimensionless_ratio.secretory_over_absorptive | intestinal_transport | efflux_ratio | dimensionless_ratio | secretory_over_absorptive | null | null | rat | 0.02 | null | false | null | null | null | null | Berberine | p-gp/abcb1 | substrate | in vitro diffusion chamber (rat intestinal membrane) | ileum | gelucire44/14 0.1% v/v added to mucosal side | 29654898 | 0.95 | q3 | gut_wall | 1a165be08f269417f9a3df13d4c740b16eb7a6d4efb58921c8fc8d2573c568bc | 1,730 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 1a165be08f269417f9a3df13d4c740b16eb7a6d4efb58921c8fc8d2573c568bc | 72d549e806336b0f8cc7e1e65e370bd5080380cb3ff21abef1b329a6dde143e7 | Gelucire44/14 at 0.1% (v/v) showed the greatest permeation‑enhancing effect on BBR because it produced the lowest efflux ratio of 0.02 in the ileum, indicating strong inhibition of P‑gp‑mediated secretory transport. | 37 | |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000019 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000019 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | caco-2 monolayer bidirectional transport | null | null | 22359351 | 0.96 | q3 | gut_wall | 584c0fca68fee1a6cb619485ba9fd08993380d3a3c96169d7bb4d9bad92aeb8c | 1,766 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 584c0fca68fee1a6cb619485ba9fd08993380d3a3c96169d7bb4d9bad92aeb8c | 2c32fcab9a792647a02b777d23a9659666993f7982cce401f457ef629607d422 | Control (no inhibitor) experiment. | In Caco-2 monolayers, the control experiment for the P-gp probe substrate [³H] paclitaxel showed a basolateral-to-apical (BL-AP) Papp of 18.5 × 10⁻⁶ cm/s and an apical-to-basolateral (AP-BL) Papp of 0.8 × 10⁻⁶ cm/s, giving an efflux ratio (ER) of 23.0. | 23 |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000001 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000001 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | caco-2 monolayer bidirectional transport | null | null | 22359351 | 0.96 | q3 | gut_wall | 584c0fca68fee1a6cb619485ba9fd08993380d3a3c96169d7bb4d9bad92aeb8c | 1,766 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 584c0fca68fee1a6cb619485ba9fd08993380d3a3c96169d7bb4d9bad92aeb8c | 0ba756e515136d20f269859b0ed844e8074f6fe41f4cc4079b4b9aa9cfa2ab05 | Control (no inhibitor) experiment. | In Caco-2 monolayers, the control experiment for the P-gp probe substrate [³H] paclitaxel showed a basolateral-to-apical (BL-AP) Papp of 18.5 × 10⁻⁶ cm/s and an apical-to-basolateral (AP-BL) Papp of 0.8 × 10⁻⁶ cm/s, giving an efflux ratio (ER) of 23.0. | 23 |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000012 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000012 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | mdck-mdr1 monolayer bidirectional transport | null | null | 22359351 | 0.96 | q3 | gut_wall | 4036a0ec44aab6c8a5f95dcd68c0020029f06863716fff5e43b47c052e6cd44e | 1,768 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4036a0ec44aab6c8a5f95dcd68c0020029f06863716fff5e43b47c052e6cd44e | fe488a9302d4b532ff41957049dd932e83dcc2231deecbee781f7a8e5f607d8c | Control (no inhibitor) experiment. | In MDCK‑MDR1 monolayers, the control experiment for [³H] paclitaxel gave BL‑AP Papp 12.2 × 10⁻⁶ cm/s, AP‑BL Papp 1.7 × 10⁻⁶ cm/s and an ER of 7.2. | 23 |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000002 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | mdck-mdr1 monolayer bidirectional transport | null | null | 22359351 | 0.96 | q3 | gut_wall | 4036a0ec44aab6c8a5f95dcd68c0020029f06863716fff5e43b47c052e6cd44e | 1,768 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | 4036a0ec44aab6c8a5f95dcd68c0020029f06863716fff5e43b47c052e6cd44e | 92479898f3005975875a312bc0ebee9d0f46c21e80f253f023deb39e428a1878 | Control (no inhibitor) experiment. | In MDCK‑MDR1 monolayers, the control experiment for [³H] paclitaxel gave BL‑AP Papp 12.2 × 10⁻⁶ cm/s, AP‑BL Papp 1.7 × 10⁻⁶ cm/s and an ER of 7.2. | 23 |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.secretory | 0.000002 | q3.intestinal_permeability.papp.cm_per_second.secretory | intestinal_permeability | papp | cm_per_second | secretory | null | null | null | 0.000002 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | caco-2 monolayer bidirectional transport | null | ly335979 5 μm inhibitor | 22359351 | 0.95 | q3 | gut_wall | ba1760e8713fce7edf8bf0e25533ccc74fc56fcc7098b54f69a68a52c4940bd2 | 1,770 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ba1760e8713fce7edf8bf0e25533ccc74fc56fcc7098b54f69a68a52c4940bd2 | 824e5efd24f8054bf202dd42fd27f645e913a62c5f13e84e26516647a6844681 | Efflux ratio fell below the active transport threshold. | In Caco-2 monolayers, the addition of the P‑gp inhibitor LY335979 at 5 µM reduced the BL‑AP Papp of [³H] paclitaxel to 2.0 × 10⁻⁶ cm/s and the AP‑BL Papp to 1.1 × 10⁻⁶ cm/s, yielding an ER of 1.8 (≤2). | 23 |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | q3.intestinal_permeability.papp.cm_per_second.absorptive | 0.000001 | q3.intestinal_permeability.papp.cm_per_second.absorptive | intestinal_permeability | papp | cm_per_second | absorptive | null | null | null | 0.000001 | cm/s | false | null | null | null | null | Paclitaxel | p-gp/abcb1 | substrate | caco-2 monolayer bidirectional transport | null | ly335979 5 μm inhibitor | 22359351 | 0.95 | q3 | gut_wall | ba1760e8713fce7edf8bf0e25533ccc74fc56fcc7098b54f69a68a52c4940bd2 | 1,770 | eb8f0e5419f3c2cc67cd5bdd13735c54af9f2b8bd4753f62c8fc6a34f5c0d638 | ba1760e8713fce7edf8bf0e25533ccc74fc56fcc7098b54f69a68a52c4940bd2 | 8de6db474f9d537a721392fdbfdca35c3333ea3a56b3bac24dcd2061ce855f69 | Efflux ratio fell below the active transport threshold. | In Caco-2 monolayers, the addition of the P‑gp inhibitor LY335979 at 5 µM reduced the BL‑AP Papp of [³H] paclitaxel to 2.0 × 10⁻⁶ cm/s and the AP‑BL Papp to 1.1 × 10⁻⁶ cm/s, yielding an ER of 1.8 (≤2). | 23 |
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Gut Wall Cleaned
This dataset contains 1,490 accepted finite scalar measurement children from the versioned canonical-base pipeline. A parent row with several unambiguous measurements can produce several child rows. Rejected, malformed, ambiguous, bounded, range-only, TDC-overlapping, and endpoint-unassignable records are not published here.
Cleaning
The following source columns are replaced in place with validated canonical or lexical normalizations:
smiles→canonical_smilesgut_wall_process→canonical_endpoint_keytransporter_or_enzyme→transporter_or_enzyme_normalizedsubstrate_status→substrate_status_normalizedassay_system→assay_system_normalizedintestinal_site→intestinal_site_normalizedqualifying_conditions→qualifying_conditions_normalizedmeasured_value→scalar_value
The public column names on the left are retained; the names on the right identify the validated internal values used to replace them. Columns omitted from this dataset:
extraction_id:internal_identifierglobal_identifier:internal_identifierauc_window:all_null_in_datasetdefining_timepoint:all_null_in_dataset
canonical_endpoint_key is the endpoint identity field. No condition_key is added.
species_exact is populated only for explicit, unambiguous species references. Narrative
and other source fields without a validated normalization remain source text.
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