Synonyms
Status
Molecule Category Free-form
ATC C01DX22
UNII LV66ADM269

Structure

InChI Key QZFHIXARHDBPBY-UHFFFAOYSA-N
Smiles COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N
InChI
InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16F2N8O2
Molecular Weight 426.39
AlogP 2.56
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 146.86
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Soluble guanylate cyclase activator ACTIVATOR FDA PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- 5.6-798 - - -
Rattus norvegicus
10.6-256 - - - -
Sus scrofa
- 956 - - -

Target Conservation

Protein: Soluble guanylate cyclase

Description: Guanylate cyclase soluble subunit alpha-2

Organism : Homo sapiens

P33402 ENSG00000152402
Protein: Soluble guanylate cyclase

Description: Guanylate cyclase soluble subunit alpha-1

Organism : Homo sapiens

Q02108 ENSG00000164116
Protein: Soluble guanylate cyclase

Description: Guanylate cyclase soluble subunit beta-1

Organism : Homo sapiens

Q02153 ENSG00000061918

Related Entries

Cross References

Resources Reference
ChEBI 142432
ChEMBL CHEMBL4066936
DrugBank DB15456
FDA SRS LV66ADM269
Guide to Pharmacology 10010
PubChem 54674461
SureChEMBL SCHEMBL429958
ZINC ZINC000072318626