admetSAR 3.0
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ADME
| Index | Endpoint | Total | Positive/Negative | Download |
|---|---|---|---|---|
| 1 | Caco-2 (c) | 1797 | 802/992 | 10.1039/D0RA08209K |
| 2 | Caco-2 | 1797 | - | 10.1039/D0RA08209K |
| 3 | HIA | 578 | 500/78 | 10.1021/ci100104j |
| 4 | MDCK | 444 | 215/227 | PubChem AID: 1645871 |
| 5 | F50% | 2239 | 1251/988 | 10.1021/acs.jcim.0c00019 |
| 6 | F30% | 2239 | 1538/701 | 10.1021/acs.jcim.0c00019 |
| 7 | F20% | 2239 | 1721/518 | 10.1021/acs.jcim.0c00019 |
| 8 | BBB | 2649 | 2098/549 | 10.1021/ci034205d10.1093/bioinformatics/btw713 https://doi.org/10.1002/cmdc.201800533 |
| 9 | OATP1B1 inhibitor | 1851 | 1653/197 | 10.1124/mol.112.084152 |
| 10 | OATP2B1 inhibitor | 219 | 44/175 | https://pubs.acs.org/doi/10.1021/jm300212s |
| 11 | OATP1B3 inhibitor | 1869 | 1739/129 | 10.1124/mol.112.084152 |
| 12 | OCT2 inhibitor | 904 | 243/661 | 10.1021/jm2001629 |
| 13 | OCT1 inhibitor | 184 | 60/124 | https://pubs.acs.org/doi/abs/10.1021/jm8003152 |
| 14 | BSEP inhibitor | 607 | 317/290 | 10.1124/dmd.112.047068 |
| 15 | BCRP inhibitor | 966 | 432/534 | 10.1002/minf.201400012 |
| 16 | MATE1 inhibitor | 818 | 80/738 | http://pubs.acs.org/doi/abs/10.1021/jm301302s |
| 17 | Pgp inhibitor | 1943 | 1172/771 | http://pubs.acs.org/doi/abs/10.1021/ci2001583http://pubs.acs.org/doi/10.1021/mp400450m10.1016/j.bmc.2012.03.045http://pubs.acs.org/doi/10.1021/jm400328s |
| 18 | Pgp substrate | 1564 | 717/847 | 10.1021/mp100465q10.1021/jm101421d |
| 19 | PPB | 3921 | - | 10.1021/acs.jcim.2c00297 |
| 20 | VDss | 1312 | - | 10.1124/dmd.118.082966 |
| 21 | CYP1A2 inhibitor | 17523 | 8208/9296 | 10.1021/ci200028n |
| 22 | CYP2C19 inhibitor | 18545 | 8038/10468 | 10.1021/ci200028n |
| 23 | CYP2C9 inhibitor | 18260 | 6314/11925 | 10.1021/ci200028n |
| 24 | CYP2D6 inhibitor | 18491 | 3935/14520 | 10.1021/ci200028n |
| 25 | CYP3A4 inhibitor | 20427 | 5775/14619 | 10.1021/ci200028n |
| 26 | CYP2B6 inhibitor | 551 | 197/354 | 10.1021/acs.chemrestox.3c00065 |
| 27 | CYP1A2 substrate | 1598 | 527/1071 | PubChem AID: 1851410 |
| 28 | CYP2C19 substrate | 1516 | 460/1056 | PubChem AID: 1851899 |
| 29 | CYP2C9 substrate | 2138 | 574/1564 | 10.1002/minf.201100069 |
| 30 | CYP2D6 substrate | 2317 | 717/1600 | 10.1002/minf.201100069 |
| 31 | CYP3A4 substrate | 3292 | 1474/1818 | 10.1002/minf.201100069 |
| 32 | CYP2B6 substrate | 520 | 260/260 | 10.1021/acs.chemrestox.3c00065 |
| 33 | HLM | 6012 | 2131/3880 | 10.1021/acs.chemrestox.2c00207 |
| 34 | RLM | 5590 | 3312/2278 | 10.1021/acs.chemrestox.2c00207 |
| 35 | UGTs substrate | 1248 | 643/605 | 10.1186/s13321-022-00626-3 |
| 36 | CLp | 1293 | 627/666 | 10.1124/dmd.118.082966 |
| 37 | CLr | 635 | 371/264 | 10.1021/acs.chemrestox.0c00359 |
| 38 | T1/2 | 1288 | - | 10.1124/dmd.118.082966 |
| 39 | MRT | 1297 | - | 10.1124/dmd.118.082966 |
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