Molecule Details
| InChIKey | RZCOQAQHAZHWEB-BFQQSILCSA-N |
|---|---|
| Compound Name | (6alpha,11beta,16alpha)-16,17-[[(R)-[4-[(3-Aminophenyl)methyl]phenyl]methylene]bis(oxy)]-6,9-difluoro-11,21-dihydroxypregna-1,4-diene-3,20-dione |
| Canonical SMILES | C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.24 |
| 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 | 7.9 | IC50 | ChEMBL;BindingDB |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 7.8 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.1 | IC50 | ChEMBL;BindingDB |