Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003805
Inhibitor ClassIndolinone
Molecule Name in Refrence Article11g compound
IUPAC Name3-(5-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
FormulaC24H22N2O4
Mass402.4425
Exact Mass402.1579572
Composition C (71.63%), H (5.51%), N (6.96%), O (15.9%)
Atom Count52
PI1
SmilesC1(=C/c2[nH]cc(c2C)CCC(=O)O)/C(=O)Nc2c1ccc(c2)c1c(OC)cccc1
InChI1S/C24H22N2O4/c1-14-16(8-10-23(27)28)13-25-20(14)12-19-18-9-7-15(11-21(18)26-24(19)29)17-5-3-4-6-22(
17)30-2/h3-7,9,11-13,25H,8,10H2,1-2H3,(H,26,29)(H,27,28)/b19-12-
InChIKeyIZKQKZYHPAYOKJ-UNOMPAQXSA-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
Reference10602697
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR beta | VEGFR2 | FGFR1 | ALL
Pub Chem Link 5329144
Drug Bank Link -
ChemSpider Link 4486306
ChEMBL Link CHEMBL147112
 
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