enoximone   Click here for help

GtoPdb Ligand ID: 9063

Synonyms: fenoximone | MDL 17,043 | MDL-17,043 | MDL-17043 | Perfan®
Approved drug
enoximone is an approved drug (UK)
Compound class: Synthetic organic
Comment: Enoximone is a selective phosphodiesterase inhibitor, targeting PDE3 subtypes [2]. It is a cardiotonic agent [1,3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.02
Molecular weight 248.06
XLogP 2.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C
Isomeric SMILES CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C
InChI InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
InChI Key ZJKNESGOIKRXQY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK)
IUPAC Name Click here for help
4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
International Nonproprietary Names Click here for help
INN number INN
5582 enoximone
Synonyms Click here for help
fenoximone | MDL 17,043 | MDL-17,043 | MDL-17043 | Perfan®
Database Links Click here for help
BindingDB Ligand 50241379
CAS Registry No. 77671-31-9 (source: PubChem)
ChEMBL Ligand CHEMBL249856
DrugBank Ligand DB04880
DrugCentral Ligand 1014
GtoPdb PubChem SID 315661148
PubChem CID 53708
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Tocris
Enoximone
Cat. No. 1693