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CHEBI:155824 - GSK2181236A

ChEBI IDCHEBI:155824
ChEBI NameGSK2181236A
Stars
DefinitionA biphenyl that is 1,1'-biphenyl substituted by a methyl group at position 3, a (2-{6-[4-carboxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-2-yl}phenoxy)methyl group at position 4 and by a trifluoromethoxy at position 4'. It is a potent guanylate cyclase activator.
Last Modified10 June 2020
Submitterslaulederkind
DownloadsMolfile
FormulaC31H21F6N3O4
Net Charge0
Average Mass613.514
Monoisotopic Mass613.14363
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1
InChIInChI=1S/C31H21F6N3O4/c1-18-15-20(19-11-13-22(14-12-19)44-31(35,36)37)9-10-21(18)17-43-26-7-3-2-5-23(26)25-6-4-8-27(39-25)40-28(30(32,33)34)24(16-38-40)29(41)42/h2-16H,17H2,1H3,(H,41,42)
InChIKeyYNDMDCJWXXDPFE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
soluble guanylate cyclase activator  Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
GSK2181236A (CHEBI:155824) has role antihypertensive agent (CHEBI:35674)
GSK2181236A (CHEBI:155824) has role soluble guanylate cyclase activator (CHEBI:76022)
GSK2181236A (CHEBI:155824) is a aromatic ether (CHEBI:35618)
GSK2181236A (CHEBI:155824) is a biphenyls (CHEBI:22888)
GSK2181236A (CHEBI:155824) is a monocarboxylic acid (CHEBI:25384)
GSK2181236A (CHEBI:155824) is a organofluorine compound (CHEBI:37143)
GSK2181236A (CHEBI:155824) is a pyrazoles (CHEBI:26410)
GSK2181236A (CHEBI:155824) is a pyridines (CHEBI:26421)
IUPAC Name 
1-[6-(2-{[3-methyl-4'-(trifluoromethoxy)[biphenyl]-4-yl]methoxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Synonyms  Source
GSK-2181236AChEBI
GSK 2181236AChEBI
1-(6-{2-[({3-methyl-4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)oxy]phenyl}-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acidChEBI
Registry NumbersSources
CAS:1160426-89-0ChEBI
Citations