eplerenone

Ligand Id: 2876
Ligand name eplerenone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 82.2
Molecular weight 414.2
XLogP 1.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity Clinical data References Structure Suppliers
Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2002))
IUPAC Name
methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
International Nonproprietary Names
INN number INN
7596 eplerenone
Synonyms
SC-66110
Database Links
BindingDB Ligand 50324120
CAS Registry No. 107724-20-9
ChEBI CHEBI:31547
ChEMBL Ligand CHEMBL1095097
DrugBank Ligand DB00700
PubChem CID 443872
Search Google for chemical match using the InChIKey JUKPWJGBANNWMW-VWBFHTRKSA-N
Search Google for chemicals with the same backbone JUKPWJGBANNWMW
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Wikipedia Eplerenone
ZINC ZINC03985982
Comments
Eplerenone is a aldosterone receptor antagonist.