P17

6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE


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Chemical Component Summary

Name6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
SynonymsPD173955
Identifiers6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfanylphenyl)amino]pyrido[6,5-d]pyrimidin-7-one
FormulaC21 H16 Cl2 N4 O S
Molecular Weight443.349
TypeNON-POLYMER
Isomeric SMILESCN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
InChIInChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChIKeyVAARYSWULJUGST-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count48
Aromatic Bond Count24

Drug Info: DrugBank

DrugBank IDDB02567 
NamePD173955
Groups experimental
Synonyms
  • 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylthio)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
  • PD173955
Categories
  • Pyridines
  • Tyrosine Kinase Inhibitors

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein kinase transforming protein AblYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSIS...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 CHEMBL386051
PubChem 447077
ChEMBL CHEMBL386051
ChEBI CHEBI:49791