Molecule Details
| InChIKey | GVLIGTLAUZUYFV-WSDLNYQXSA-N |
|---|---|
| Compound Name | 17-[(2E)-2-hydroxyiminoethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Canonical SMILES | CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C/C=N/O)CCC12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.4 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 6.5 | pIC50 | TTD_MultiTarget |
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 6.3 | IC50 | ChEMBL |