Molecule Details
| InChIKey | WDFSHXFIISIKKK-SETZDUAMSA-N |
|---|---|
| Compound Name | (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(3,4-dichlorophenyl)methoxymethyl]-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene |
| Canonical SMILES | COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc(Cl)c(Cl)c4)[C@@H](C2)N(CC2CC2)CC[C@]315 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| Q5TC84 | OGFRL1 | Homo sapiens | Human | PF04664 | 6.1 | Ki | ChEMBL;BindingDB |