Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003778
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article53 compound
IUPAC Name6-(2,6-dichlorophenyl)-2-[(4-methoxy-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC22H18Cl2N4O2
Mass441.31
Exact Mass440.0806813
Composition C (59.88%), H (4.11%), Cl (16.07%), N (12.7%), O (7.25%)
Atom Count48
PI7.67
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1cc(c(cc1)OC)C)C
InChI1S/C22H18Cl2N4O2/c1-12-9-14(7-8-18(12)30-3)26-22-25-11-13-10-15(21(29)28(2)20(13)27-22)19-16(23)5-4-
6-17(19)24/h4-11H,1-3H3,(H,25,26,27)
InChIKeyPBDZUUYDHCFPJM-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 enzymesPDGFr | FGFr | c-Src | ALL
Pub Chem Link 5327899
Drug Bank Link -
ChemSpider Link 4485069
ChEMBL Link CHEMBL113023
 
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