Molecule Details
| InChIKey | JGCGLZKKCJACMB-FYYLOGMGSA-N |
|---|---|
| Compound Name | (4aR)-(10bR)-4,10b-dimethyl-8-(2-phenylethynyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one |
| Canonical SMILES | CN1C(=O)CC[C@]2(C)c3ccc(C#Cc4ccccc4)cc3CC[C@@H]12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| 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 | 7.7 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 7.7 | pIC50 | TTD_MultiTarget |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 7.3 | IC50 | ChEMBL;BindingDB |