Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003770
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article44 compound
IUPAC Name2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H13Cl3N4O
Mass431.702
Exact Mass430.0154942
Composition C (55.64%), H (3.04%), Cl (24.64%), N (12.98%), O (3.71%)
Atom Count41
PI7.27
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1)C
InChI1S/C20H13Cl3N4O/c1-27-18-11(9-14(19(27)28)17-15(22)3-2-4-16(17)23)10-24-20(26-18)25-13-7-5-12(21)6-8
-13/h2-10H,1H3,(H,24,25,26)
InChIKeyNHNZOSYAEBEEDW-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 | PDGFr | FGFr | ALL
Pub Chem Link 5327891
Drug Bank Link -
ChemSpider Link 4485061
ChEMBL Link CHEMBL111247
 
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