ENOXIMONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01CE03
UNII: C7Z4ITI7L7

Structure
InChI Key ZJKNESGOIKRXQY-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 3 inhibitor BNF
Primary Target
phosphodiesterase 3A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 3800-14000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 3800-14000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 2900-5000 - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 2900-5000 - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 2900-5000 - - 34
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 2900-5000 - - 34

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 77671-31-9
ChEBI 135010
ChEMBL CHEMBL249856
DrugBank DB04880
DrugCentral 1014
EPA CompTox DTXSID8045147
FDA SRS C7Z4ITI7L7
Human Metabolome Database HMDB0015599
Guide to Pharmacology 9063
PharmGKB PA164768794
PubChem 53708
SureChEMBL SCHEMBL44049
ZINC ZINC000009225358
CONTENTS