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CHEBI:142432 - vericiguat

Default Structure
ChEBI IDCHEBI:142432
ChEBI Namevericiguat
Stars
DefinitionA pyrazolopyridine that is 5-fluoro-1H-pyrazolo[3,4-b]pyridine in which the amino hydrogen at position 1 has been substituted by a 2-fluorobenzyl group and the hydrogen at position 3 has been substituted by a 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl group. It is a soluble guanylate cyclase stimulator which is used for treatment of chronic heart failure.
Last Modified29 January 2021
SubmitterBijay
DownloadsMolfile
FormulaC19H16F2N8O2
Net Charge0
Average Mass426.387
Monoisotopic Mass426.13643
SMILESCOC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N
InChIInChI=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)
InChIKeyQZFHIXARHDBPBY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
soluble guanylate cyclase activator  Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
vericiguat (CHEBI:142432) has role antihypertensive agent (CHEBI:35674)
vericiguat (CHEBI:142432) has role soluble guanylate cyclase activator (CHEBI:76022)
vericiguat (CHEBI:142432) has role vasodilator agent (CHEBI:35620)
vericiguat (CHEBI:142432) is a aminopyrimidine (CHEBI:38338)
vericiguat (CHEBI:142432) is a carbamate ester (CHEBI:23003)
vericiguat (CHEBI:142432) is a organofluorine compound (CHEBI:37143)
vericiguat (CHEBI:142432) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate
INNs  Source
vericiguatWHO MedNet
vericiguatWHO MedNet
vériciguatWHO MedNet
vericiguatumWHO MedNet
Synonyms  Source
BAY-1021189ChemIDplus
BAY1021189ChemIDplus
methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamateChEBI
MK-1242ChEBI
Manual XrefsDatabases
D11051KEGG DRUG
US2012022084Patent
Registry NumbersSources
Reaxys:22098890Reaxys
CAS:1350653-20-1ChemIDplus
Citations