ENOXIMONE

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Synonyms
Status
Molecule Category Free-form
ATC C01CE03
UNII C7Z4ITI7L7
EPA CompTox DTXSID8045147

Structure

InChI Key ZJKNESGOIKRXQY-UHFFFAOYSA-N
Smiles CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O2S
Molecular Weight 248.31
AlogP 1.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 65.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 3 inhibitor INHIBITOR BNF
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- - - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- - - - 34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 34

Target Conservation

Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Organism : Homo sapiens
Q13370 ENSG00000152270
Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Organism : Homo sapiens
Q14432 ENSG00000172572

Cross References

Resources Reference
ChEBI 135010
ChEMBL CHEMBL249856
DrugBank DB04880
DrugCentral 1014
FDA SRS C7Z4ITI7L7
Human Metabolome Database HMDB0015599
Guide to Pharmacology 9063
PharmGKB PA164768794
PubChem 53708
SureChEMBL SCHEMBL44049
ZINC ZINC000009225358
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