Molecule Details
| InChIKey | ASQKMNDCAVTNOQ-OWGJQLEISA-N |
|---|---|
| Compound Name | (4aS,7R,7aR)-3-(cyclopropylmethyl)-7-[(2-isothiocyanatophenyl)methoxy]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
| Canonical SMILES | Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)C(C2)N(CC2CC2)CCC314 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.17 |
| Source | ChEMBL |
2D Structure
Activity Profile