Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003753
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article27 compound
IUPAC Name2-(benzylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC21H16Cl2N4O
Mass411.284
Exact Mass410.0701166
Composition C (61.33%), H (3.92%), Cl (17.24%), N (13.62%), O (3.89%)
Atom Count44
PI8.59
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)NCc1ccccc1)C
InChI1S/C21H16Cl2N4O/c1-27-19-14(10-15(20(27)28)18-16(22)8-5-9-17(18)23)12-25-21(26-19)24-11-13-6-3-2-4-7
-13/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyGCVONYYXPDJZOE-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 5327874
Drug Bank Link -
ChemSpider Link 4485044
ChEMBL Link CHEMBL113356
 
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