Molecule Details
| InChIKey | QADHLRWLCPCEKT-QJIZPQHZSA-N |
|---|---|
| Compound Name | 5-Androsten-3beta,17beta-diol |
| Canonical SMILES | C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.56 |
| Source | BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.0 | IC50 | BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.7 | IC50 | BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.7 | IC50 | BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.2 | pIC50 | TTD_MultiTarget |