Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003779
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article54 compound
IUPAC Name6-(2,6-dichlorophenyl)-2-[(3,5-dimethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC22H18Cl2N4O3
Mass457.309
Exact Mass456.0755959
Composition C (57.78%), H (3.97%), Cl (15.51%), N (12.25%), O (10.5%)
Atom Count49
PI6.96
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1cc(cc(c1)OC)OC)C
InChI1S/C22H18Cl2N4O3/c1-28-20-12(7-16(21(28)29)19-17(23)5-4-6-18(19)24)11-25-22(27-20)26-13-8-14(30-2)10
-15(9-13)31-3/h4-11H,1-3H3,(H,25,26,27)
InChIKeyRYCIKEDAOOTILW-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 | c-Src | FGFr | ALL
Pub Chem Link 5327900
Drug Bank Link -
ChemSpider Link 4485070
ChEMBL Link CHEMBL324926
 
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