Structure

InChI Key VWUPWEAFIOQCGF-UHFFFAOYSA-N
Smiles CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChI
InChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N3O4
Molecular Weight 301.3
AlogP 1.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 69.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 3A inhibitor INHIBITOR FDA

Target Conservation

Protein: Phosphodiesterase 3A

Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A

Organism : Homo sapiens

Q14432 ENSG00000172572

Cross References

Resources Reference
ChEBI 34850
ChEMBL CHEMBL1200977
FDA SRS 9K8XR81MO8
Guide to Pharmacology 5225
KEGG C13595
PDB MIL
PubChem 172293
SureChEMBL SCHEMBL36948
ZINC ZINC09224016