Molecule Details
InChIKeyPQSUYGKTWSAVDQ-ZVIOFETBSA-N
Compound NameAldosterone
Canonical SMILESC[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 pChEMBL7.79
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04630
Drug NameAldosterone
CAS Number52-39-1
Groups investigational
ATC Codes H02AA01
DescriptionA 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P08235 NR3C2 Homo sapiens Human PF00104 PF00105 9.3 IC50 ChEMBL;BindingDB
P08185 SERPINA6 Homo sapiens Human PF00079 6.3 Ki ChEMBL;BindingDB
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