Molecule Details
| InChIKey | JSYKYDORIGJAKS-BUVWRSTLSA-N |
|---|---|
| Compound Name | (4R,4aS,6S,7R,7aR,12bS)-6-((benzylthio)methyl)-3-(cyclopropylmethyl)-7,9-dimethoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline |
| Canonical SMILES | COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4CSCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile