Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003781
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article57 compound
IUPAC Nameethyl 4-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}phenyl)butanoate
FormulaC26H24Cl2N4O3
Mass511.4
Exact Mass510.1225461
Composition C (61.06%), H (4.73%), Cl (13.87%), N (10.96%), O (9.39%)
Atom Count59
PI7.39
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(cc1)CCCC(=O)OCC)C
InChI1S/C26H24Cl2N4O3/c1-3-35-22(33)9-4-6-16-10-12-18(13-11-16)30-26-29-15-17-14-19(25(34)32(2)24(17)31-2
6)23-20(27)7-5-8-21(23)28/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,29,30,31)
InChIKeyNXHGGDQABDGSFK-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 enzymesFGFr | c-Src | PDGFr | ALL
Pub Chem Link 5327903
Drug Bank Link -
ChemSpider Link 4485073
ChEMBL Link CHEMBL419022
 
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