Structure

InChI Key DOSIONJFGDSKCQ-UHFFFAOYSA-N
Smile CC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O
InChI
InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;1-2(4)3(5)6/h1-6H,11H2,(H,13,14);2,4H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H15N3O4
Molecular Weight 277.28
AlogP 1.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 71.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 3A inhibitor PubMed Wikipedia

Cross References

Resources Reference
ChEMBL CHEMBL2096642
FDA SRS I229274Y5B
Guide to Pharmacology 7202
PubChem 3035194
SureChEMBL SCHEMBL739746
ZINC ZINC08673078