Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003762
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article36 compound
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-{[2-(pyridin-2-yl)ethyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC21H17Cl2N5O
Mass426.299
Exact Mass425.0810156
Composition C (59.17%), H (4.02%), Cl (16.63%), N (16.43%), O (3.75%)
Atom Count46
PI10.45
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)NCCc1ncccc1)C
InChI1S/C21H17Cl2N5O/c1-28-19-13(11-15(20(28)29)18-16(22)6-4-7-17(18)23)12-26-21(27-19)25-10-8-14-5-2-3-9
-24-14/h2-7,9,11-12H,8,10H2,1H3,(H,25,26,27)
InChIKeyNRYIWRROVMCMDV-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 5327883
Drug Bank Link -
ChemSpider Link 4485053
ChEMBL Link CHEMBL323699
 
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