Molecule Details
| InChIKey | OBLROXFEDYVPLD-FFKMXSJSSA-N |
|---|---|
| Compound Name | methyl 3-[(3S,3aR,4R,5aR,6S,9aR,9bR)-4-hydroxy-6,9a,9b-trimethyl-8-oxo-3-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,3a,4,5,5a,7,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate |
| Canonical SMILES | COC(=O)CC[C@@]1(C)CC(=O)C[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@H]([C@@]3(C)CCCC(C)(C)O3)CC[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.39 |
| 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 | 6.4 | IC50 | ChEMBL |
| P05026 | ATP1B1 | Homo sapiens | Human | PF00287 | 6.4 | IC50 | ChEMBL |
| P13637 | ATP1A3 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.4 | IC50 | ChEMBL |
| P14415 | ATP1B2 | Homo sapiens | Human | PF00287 | 6.4 | IC50 | ChEMBL |
| P50993 | ATP1A2 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.4 | IC50 | ChEMBL |
| P54709 | ATP1B3 | Homo sapiens | Human | PF00287 | 6.4 | IC50 | ChEMBL |
| P54710 | FXYD2 | Homo sapiens | Human | PF02038 | 6.4 | IC50 | ChEMBL |
| Q13733 | ATP1A4 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.4 | IC50 | ChEMBL |