Molecule Details
InChIKeyLXMSZDCAJNLERA-ZHYRCANASA-N
Compound NameSpironolactone
Canonical SMILESCC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)6
Pfam Stratification Cross-Family
Avg pChEMBL6.89
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00421
Drug NameSpironolactone
CAS Number52-01-7
Groups approved investigational
ATC Codes C03DA01
DescriptionSpironolactone is a potassium-sparing diuretic. It binds to mineralocorticoid receptors and functions as aldosterone antagonists.[A178192] It promotes sodium and water excretion and potassium retention.[A11837] Spironolactone was originally developed purely for this ability before other pharmacodyna...

Categories: Agents causing hyperkalemia Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension BSEP/ABCB11 Substrates Cardiovascular Agents Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Diuretics Fused-Ring Compounds Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Hypotensive Agents Lactones Mineralocorticoid (Aldosterone) Receptor Antagonists Mineralocorticoid Receptor Antagonists Natriuretic Agents P-glycoprotein inducers Potassium-Sparing Diuretics Pregnanes Pregnenes Steroids
Cross-references: BindingDB: 50228080 ChEBI: 9241 CHEMBL1393 ChemSpider: 5628 Drugs Product Database (DPD): 7408 Guide to Pharmacology: 2875 IUPHAR: 2875 C07310 D00443 PDB: SNL PharmGKB: PA451483 PubChem:5833 PubChem:46508525 RxCUI: 9997 Therapeutic Targets Database: DAP000297 Wikipedia: Spironolactone ZINC: ZINC000003861599
Target Activities (6)
Target Gene Organism Category Pfam pChEMBL Type Source
P08235 NR3C2 Homo sapiens Human PF00104 PF00105 7.9 IC50 ChEMBL;BindingDB
P04150 NR3C1 Homo sapiens Human PF02155 PF00104 PF00105 7.5 Ki ChEMBL;BindingDB
P10275 AR Homo sapiens Human PF02166 PF00104 PF00105 6.9 IC50 ChEMBL;BindingDB
Q5VT25 CDC42BPA Homo sapiens Human PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 6.4 pIC50 TTD_MultiTarget
P06401 PGR Homo sapiens Human PF00104 PF02161 PF00105 6.2 IC50 ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 6.4 pIC50 TTD_MultiTarget
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P02763 P02763 alpha1-acid glycoprotein binder carriers
P02768 ALB Albumin binder carriers
P15538 CYP11B1 Cytochrome P450 11B1, mitochondrial inducer enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P19099 CYP11B2 Cytochrome P450 11B2, mitochondrial inhibitor enzymes
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 agonist targets
P03372 ESR1 Estrogen receptor agonist targets
P06401 PGR Progesterone receptor agonist targets
P04150 NR3C1 Glucocorticoid receptor antagonist targets
P08235 NR3C2 Mineralocorticoid receptor antagonist targets
P10275 AR Androgen receptor antagonist targets
Q13936 CACNA1C Voltage-dependent L-type calcium channel inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 inducer transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 inhibitor transporters
O95342 ABCB11 Bile salt export pump substrate transporters