Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003515
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence ArticleNP603
IUPAC Name3-(5-{[(3Z)-6-(3,5-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
FormulaC26H26N2O5
Mass446.495
Exact Mass446.184172
Composition C (69.94%), H (5.87%), N (6.27%), O (17.92%)
Atom Count59
PI1.04
Smilesc1c(cc2c(c1)/C(=C/c1[nH]c(c(c1C)CCC(=O)O)C)/C(=O)N2)c1cc(cc(c1)OC)OC
InChI1S/C26H26N2O5/c1-14-20(7-8-25(29)30)15(2)27-23(14)13-22-21-6-5-16(11-24(21)28-26(22)31)17-9-18(32-3)
12-19(10-17)33-4/h5-6,9-13,27H,7-8H2,1-4H3,(H,28,31)(H,29,30)/b22-13-
InChIKeyZIZSHSPAAJIYOD-XKZIYDEJSA-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
Reference19110422
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR1 | PDGFR beta | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 21436325
ChEMBL Link CHEMBL231526
 
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