Molecule Details
| InChIKey | AEMFNILZOJDQLW-QAGGRKNESA-N |
|---|---|
| Compound Name | Androstenedione |
| Canonical SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01536 |
|---|---|
| Drug Name | Androstenedione |
| CAS Number | 63-05-8 |
| Groups | illicit investigational |
| ATC Codes | nan |
| Description | A delta-4 C19 steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. |
Categories: 17-Ketosteroids Adrenal Cortex Hormones Androstanes Androstenes Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Ketosteroids Steroids Testosterone Congeners
Cross-references: BindingDB: 91713 ChEBI: 16422 CHEMBL274826 ChemSpider: 5898 C00280 D00051 PDB: ASD PubChem:6128 PubChem:46508011 RxCUI: 784 Wikipedia: Androstenedione ZINC: ZINC000004428526
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 7.5 | Kd | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | pIC50 | TTD_MultiTarget |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 7.1 | IC50 | BindingDB |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 7.1 | pIC50 | TTD_MultiTarget |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL;BindingDB |
| P37058 | HSD17B3 | Homo sapiens | Human | PF00106 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P42330 | AKR1C3 | Aldo-keto reductase family 1 member C3 | substrate | enzymes |
| P14061 | HSD17B1 | 17-beta-hydroxysteroid dehydrogenase type 1 | inducer | targets |
| P42330 | AKR1C3 | Aldo-keto reductase family 1 member C3 | inducer | targets |
| Q00441 | Q00441 | 6-deoxyerythronolide B hydroxylase | inducer | targets |
| P11511 | CYP19A1 | Aromatase | inhibitor | targets |
| P14060 | HSD3B1 | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 | positive allosteric modulator | targets |
| P42330 | AKR1C3 | Aldo-keto reductase family 1 member C3 | substrate | targets |