EPLERENONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C03DA04
UNII 6995V82D0B
EPA CompTox DTXSID2046094

Structure

InChI Key JUKPWJGBANNWMW-VWBFHTRKSA-N
Smiles COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13
InChI
InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30O6
Molecular Weight 414.5
AlogP 3.12
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 1.0
Polar Surface Area 82.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Mineralocorticoid receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
100 39.81-794.33 - 125.89 44-111
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
100 63.1-794.33 - 125.89 44-111
Rattus norvegicus
- 39.81 - - 8-102

Target Conservation

Protein: Mineralocorticoid receptor
Description: Mineralocorticoid receptor
Organism : Homo sapiens
P08235 ENSG00000151623

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia

Cross References

Resources Reference
ChEBI 31547
ChEMBL CHEMBL1095097
DrugBank DB00700
DrugCentral 1032
FDA SRS 6995V82D0B
Human Metabolome Database HMDB0014838
Guide to Pharmacology 2876
KEGG C12512
PDB YNU
PubChem 443872
SureChEMBL SCHEMBL21515
ZINC ZINC000003985982
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