Molecule Details
| InChIKey | WMVWSQOJKZZWCI-VTPACTEHSA-N |
|---|---|
| Compound Name | (4R,4aS,6R,7R,7aR,12bS)-6-((benzyloxy)methyl)-3-(cyclopropylmethyl)-9-fluoro-7-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline |
| Canonical SMILES | CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 10.7 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| Q5TC84 | OGFRL1 | Homo sapiens | Human | PF04664 | 6.5 | Ki | ChEMBL;BindingDB |