Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003768
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article42 compound
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[(pyridin-4-yl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC19H13Cl2N5O
Mass398.245
Exact Mass397.0497155
Composition C (57.3%), H (3.29%), Cl (17.8%), N (17.59%), O (4.02%)
Atom Count40
PI9.91
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccncc1)C
InChI1S/C19H13Cl2N5O/c1-26-17-11(10-23-19(25-17)24-12-5-7-22-8-6-12)9-13(18(26)27)16-14(20)3-2-4-15(16)21
/h2-10H,1H3,(H,22,23,24,25)
InChIKeyYOKSFKATMBKCHB-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference9703473
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | PDGFr | FGFr | ALL
Pub Chem Link 5327889
Drug Bank Link -
ChemSpider Link 4485059
ChEMBL Link CHEMBL104779
 
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