Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003775
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article49 compound
IUPAC Name6-(2,6-dichlorophenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC21H16Cl2N4O2
Mass427.283
Exact Mass426.0650312
Composition C (59.03%), H (3.77%), Cl (16.59%), N (13.11%), O (7.49%)
Atom Count45
PI7.63
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(cc1)OC)C
InChI1S/C21H16Cl2N4O2/c1-27-19-12(10-15(20(27)28)18-16(22)4-3-5-17(18)23)11-24-21(26-19)25-13-6-8-14(29-2
)9-7-13/h3-11H,1-2H3,(H,24,25,26)
InChIKeyZDVPZVBAWYNOOH-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 | FGFr | PDGFr | ALL
Pub Chem Link 5327896
Drug Bank Link -
ChemSpider Link 4485066
ChEMBL Link CHEMBL104153
 
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