Molecule Details
| InChIKey | QADHLRWLCPCEKT-LOVVWNRFSA-N |
|---|---|
| Compound Name | Androstenediol |
| Canonical SMILES | C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01524 |
|---|---|
| Drug Name | Androstenediol |
| CAS Number | 521-17-5 |
| Groups | experimental illicit |
| ATC Codes | nan |
| Description | Androstenediol is an intermediate in [testosterone] biosynthesis, found in the testis or the adrenal glands. Androstenediol, derived from dehydroepiandrosterone by the reduction of the 17-keto group (17-hydroxysteroid dehydrogenases), is converted to testosterone by the oxidation of the 3-beta hydro... |
Categories: Anabolic Agents Androstanes Androstenediols Androstenes Androstenols Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Steroids Testosterone Congeners
Cross-references: BindingDB: 50223237 ChEBI: 2710 CHEMBL440283 ChemSpider: 10188 C04295 D00179 PDB: B81 PubChem:10634 PubChem:46507476 Wikipedia: Androstenediol ZINC: ZINC000003814414
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 9.2 | Kd | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.0 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.7 | IC50 | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.6 | IC50 | ChEMBL;BindingDB |