I45

3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide


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Chemical Component Summary

Name3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide
Identifiers3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-pyridin-1-yl]-N,4-dimethyl-benzamide
FormulaC22 H19 Br F2 N2 O3
Molecular Weight477.299
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC
InChIInChI=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)
InChIKeyKCAJXIDMCNPGHZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07941 
NamePH-797804
Groups investigational
DescriptionPH-797804 has been investigated for the treatment of Osteoarthritis.
SynonymsPH-797804
Categories
  • Acids, Carbocyclic
  • Amides
  • Benzene Derivatives
  • Benzoates
  • p38 Mitogen-Activated Protein Kinases, antagonists & inhibitors
CAS number586379-66-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Mitogen-activated protein kinase 14MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL1088751
PubChem 22049997
ChEMBL CHEMBL1088751
ChEBI CHEBI:82715
CCDC/CSD VATBOJ