Molecule Details
| InChIKey | WWMGAPRXPIKGFI-PVKGSEOFSA-N |
|---|---|
| Compound Name | (4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-vinyl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one |
| Canonical SMILES | CN1C(=O)CC[C@]2(C)c3ccc(/C=C/c4cnc5ccccc5c4)cc3CC[C@@H]12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 8.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 8.5 | pIC50 | TTD_MultiTarget |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 6.5 | IC50 | ChEMBL;BindingDB |