Molecule Details
| InChIKey | AGLXJGMIHBVFOD-KGNIKIJOSA-N |
|---|---|
| Compound Name | (4R,9aR,11aR)-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-4-propyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one |
| Canonical SMILES | CCC[C@H]1C=C2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| 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 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 7.2 | pIC50 | TTD_MultiTarget |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 6.2 | IC50 | ChEMBL;BindingDB |