Molecule Details
| InChIKey | PQSUYGKTWSAVDQ-ZVIOFETBSA-N |
|---|---|
| Compound Name | Aldosterone |
| Canonical SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04630 |
|---|---|
| Drug Name | Aldosterone |
| CAS Number | 52-39-1 |
| Groups | investigational |
| ATC Codes | H02AA01 |
| Description | A hormone secreted by the adrenal cortex that regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium. |
Categories: 11-Hydroxycorticosteroids Adrenal Cortex Hormones Corticosteroids Corticosteroids for Systemic Use Corticosteroids for Systemic Use, Plain Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hydroxycorticosteroids Immunosuppressive Agents Mineralocorticoids P-glycoprotein inducers P-glycoprotein substrates Pregnanes Pregnenediones Pregnenes Steroids Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
Cross-references: BindingDB: 19214 ChEBI: 27584 CHEMBL273453 ChemSpider: 5633 C01780 PDB: AS4 PharmGKB: PA164924487 PubChem:5839 PubChem:46505770 RxCUI: 1312358 Therapeutic Targets Database: DAP001344 Wikipedia: Aldosterone ZINC: ZINC000003833824
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05093 | CYP17A1 | Steroid 17-alpha-hydroxylase/17,20 lyase | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P15538 | CYP11B1 | Cytochrome P450 11B1, mitochondrial | substrate | enzymes |
| P19099 | CYP11B2 | Cytochrome P450 11B2, mitochondrial | substrate | enzymes |
| P08235 | NR3C2 | Mineralocorticoid receptor | agonist | targets |
| P04150 | NR3C1 | Glucocorticoid receptor | binder | targets |
| Q13621 | Q13621 | Solute carrier family 12 member 1 | blocker | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | inhibitor | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |