Molecule Details
| InChIKey | LQVQTKIMPALRSS-UWCPJDNOSA-N |
|---|---|
| Compound Name | (2R,4bS,7S,8aS)-2-[(1E,3S)-1-(2-aminoethoxyimino)pentan-3-yl]-7-hydroxy-2,4b-dimethyl-4,4a,5,6,7,8,8a,9,10,10a-decahydro-3H-phenanthren-1-one |
| Canonical SMILES | CC[C@@H](C/C=N/OCCN)[C@@]1(C)CCC2C(CC[C@H]3C[C@@H](O)CC[C@]23C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05023 | ATP1A1 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.8 | IC50 | ChEMBL |
| P05026 | ATP1B1 | Homo sapiens | Human | PF00287 | 6.8 | IC50 | ChEMBL |
| P13637 | ATP1A3 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.8 | IC50 | ChEMBL |
| P14415 | ATP1B2 | Homo sapiens | Human | PF00287 | 6.8 | IC50 | ChEMBL |
| P50993 | ATP1A2 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.8 | IC50 | ChEMBL |
| P54709 | ATP1B3 | Homo sapiens | Human | PF00287 | 6.8 | IC50 | ChEMBL |
| P54710 | FXYD2 | Homo sapiens | Human | PF02038 | 6.8 | IC50 | ChEMBL |
| Q13733 | ATP1A4 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.8 | IC50 | ChEMBL |