CHEBI:155824 - GSK2181236A

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ChEBI Name GSK2181236A
ChEBI ID CHEBI:155824
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Stan Laulederkind
Supplier Information
Download Molfile XML SDF
Formula C31H21F6N3O4
Net Charge 0
Average Mass 613.516
Monoisotopic Mass 613.14363
InChI InChI=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)
InChIKey YNDMDCJWXXDPFE-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1C=2C=CC(=C(C2)C)COC=3C=CC=CC3C=4N=C(C=CC4)N5C(=C(C=N5)C(O)=O)C(F)(F)F)OC(F)(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): soluble guanylate cyclase activator
Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Application(s): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-(6-{2-[({3-methyl-4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)oxy]phenyl}-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ChEBI
GSK 2181236A ChEBI
GSK-2181236A ChEBI
Registry Number Type Source
1160426-89-0 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
22783192 PubMed citation Europe PMC
25302549 PubMed citation Europe PMC
25645316 PubMed citation Europe PMC
27853261 PubMed citation Europe PMC
Last Modified
10 June 2020