Molecule Details
| InChIKey | JAOFIBKJPAHQNQ-VTKCIJPMSA-N |
|---|---|
| Compound Name | (3E,8R,9S,10R,13S,14S,17R)-3-hydroxyimino-13-methyl-17-propa-1,2-dienyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol |
| Canonical SMILES | C=C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15118 | PDK1 | Homo sapiens | Human | PF10436 PF02518 | 6.1 | IC50 | ChEMBL |
| Q15119 | PDK2 | Homo sapiens | Human | PF10436 PF02518 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q15120 | PDK3 | Homo sapiens | Human | PF10436 PF02518 | 6.1 | IC50 | ChEMBL |
| Q16654 | PDK4 | Homo sapiens | Human | PF10436 PF02518 | 6.1 | IC50 | ChEMBL |