Molecule Details
| InChIKey | YTKAYWYQPDHXNV-NSISKUIASA-N |
|---|---|
| Compound Name | (2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-2,7-diol |
| Canonical SMILES | C=CC[C@@]12CC[C@](O)(C#CC)C[C@H]1CCc1cc(O)ccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.8 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.6 | IC50 | ChEMBL;BindingDB |