Molecule Details
| InChIKey | PGANIOBIXBHMAK-BUVWRSTLSA-N |
|---|---|
| Compound Name | N-benzyl-1-((4R,4aS,6R,7R,7aR,12bS)-3-(cyclopropylmethyl)-7,9-dimethoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-6-yl)methanamine |
| Canonical SMILES | COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4CNCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 10.4 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| Q5TC84 | OGFRL1 | Homo sapiens | Human | PF04664 | 6.8 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |