Molecule Details
| InChIKey | RYHSGCXJLCXQNY-YBNMXXFDSA-N |
|---|---|
| Compound Name | [(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,11a,12a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 3-[[(3S)-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propanoate |
| Canonical SMILES | Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@]43CCN5C)N(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.41 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile