Chemical Component Summary

Name5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
Identifiers5-[[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]amino]pyridine-3-carboxamide
FormulaC21 H17 F3 N4 O2
Molecular Weight414.38
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChIKeySAAYRHKJHDIDPH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB07970 
Name5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
Groups experimental
Synonyms5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Ephrin type-A receptor 7MVFQTRYPSWIILCYIWLLRFAHTGEAQAAKEVLLLDSKAQQTELEWISS...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 CHEMBL552425
PubChem 24875320
ChEMBL CHEMBL552425
ChEBI CHEBI:91325