Molecule Details
| InChIKey | FAHOTOBTELSIEH-VTPACTEHSA-N |
|---|---|
| Compound Name | 2-[[(1S,2S,6R,14R,15R,16R)-15-methoxy-5-methyl-16-[(2-methylphenyl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]ethanol |
| Canonical SMILES | CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.92 |
| 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 | 8.4 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| Q5TC84 | OGFRL1 | Homo sapiens | Human | PF04664 | 6.5 | Ki | ChEMBL;BindingDB |