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
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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)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphodiesterase 3A Primary target of this compound Hs Inhibitor Inhibition 5.4 pIC50 - 4
pIC50 5.4 (IC50 3.8x10-6 M) [4]
Description: Measuring inhibition of human platelet PDE