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CHEBI:142432 - vericiguat

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:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
vasodilator agent  A drug used to cause dilation of the blood vessels.
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
vericiguatumWHO MedNet
vériciguatWHO MedNet
Synonyms  Source
BAY1021189ChemIDplus
BAY-1021189ChemIDplus
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