Molecule Details
| InChIKey | VRIWDQKPTOTRNK-XGTKUTNFSA-N |
|---|---|
| Compound Name | 17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4''-trimethylfluoro)benzamido]morphinan-oxalate |
| Canonical SMILES | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P41146 | OPRL1 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |