Chemical Component Summary

Name2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Synonyms5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
Identifiers2-[(2,4-dichlorophenyl)carbonylamino]-5-pyrimidin-2-yloxy-benzoic acid
FormulaC18 H11 Cl2 N3 O4
Molecular Weight404.204
TypeNON-POLYMER
Isomeric SMILESc1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl
InChIInChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKeyVNDRRWBKNSHALL-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB08402 
Name2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Groups experimental
Synonyms2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Peroxisome proliferator-activated receptor gammaMGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...unknown
Nuclear receptor coactivator 2MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELA...unknown
Retinoic acid receptor RXR-alphaMDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...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
PubChem 5289162
ChEMBL CHEMBL1204498