Molecule Details
| InChIKey | GNWBLLYJQXKPIP-XCWVSVQESA-N |
|---|---|
| Compound Name | (4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid diethylamide |
| Canonical SMILES | CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.39 |
| Source | BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 8.5 | pIC50 | TTD_MultiTarget |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 8.4 | IC50 | BindingDB |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 8.1 | IC50 | BindingDB |