Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003785
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article72 compound
IUPAC Name4-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}phenyl)butanoic acid
FormulaC24H20Cl2N4O3
Mass483.347
Exact Mass482.0912459
Composition C (59.64%), H (4.17%), Cl (14.67%), N (11.59%), O (9.93%)
Atom Count53
PI2.92
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(cc1)CCCC(=O)O)C
InChI1S/C24H20Cl2N4O3/c1-30-22-15(12-17(23(30)33)21-18(25)5-3-6-19(21)26)13-27-24(29-22)28-16-10-8-14(9-1
1-16)4-2-7-20(31)32/h3,5-6,8-13H,2,4,7H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyCBIJGNHFFWAGLZ-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 | PDGFr | c-Src | ALL
Pub Chem Link 5327918
Drug Bank Link -
ChemSpider Link 4485088
ChEMBL Link CHEMBL113070
 
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