CHEBI:82715 - PH 797804

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PH 797804
ChEBI ID CHEBI:82715
Definition A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
Download Molfile XML SDF
Formula C22H19BrF2N2O3
Net Charge 0
Average Mass 477.29900
Monoisotopic Mass 476.055
InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChIKey KCAJXIDMCNPGHZ-UHFFFAOYSA-N
SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
Roles Classification
Biological Role(s): EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PH 797804 (CHEBI:82715) has role anti-inflammatory agent (CHEBI:67079)
PH 797804 (CHEBI:82715) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
PH 797804 (CHEBI:82715) is a aromatic ether (CHEBI:35618)
PH 797804 (CHEBI:82715) is a benzamides (CHEBI:22702)
PH 797804 (CHEBI:82715) is a organobromine compound (CHEBI:37141)
PH 797804 (CHEBI:82715) is a organofluorine compound (CHEBI:37143)
PH 797804 (CHEBI:82715) is a pyridone (CHEBI:38183)
IUPAC Name
3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide
Synonyms Sources
3-Bromo-4-((2,4-difluorobenzyl)oxy)-1-(5-((methylamino)carbonyl)-2-methylphenyl)-6-methylpyridin-2(1H)-one ChemIDplus
PH-797804 ChemIDplus
PH797804 ChemIDplus
Manual Xrefs Databases
DB07941 DrugBank
I45 PDBeChem
LSM-36373 LINCS
View more database links
Registry Numbers Types Sources
18380929 Reaxys Registry Number Reaxys
586379-66-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19496616 PubMed citation Europe PMC
19720877 PubMed citation Europe PMC
21641211 PubMed citation Europe PMC
22174080 PubMed citation Europe PMC
23539534 PubMed citation Europe PMC
Last Modified
26 February 2016