Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003804
Inhibitor ClassIndolinone
Molecule Name in Refrence Article11f compound
IUPAC Name3-(5-{[(3Z)-6-(3-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)c1cc(OC)ccc1
InChI1S/C24H22N2O4/c1-14-17(7-9-23(27)28)13-25-21(14)12-20-19-8-6-16(11-22(19)26-24(20)29)15-4-3-5-18(10-
15)30-2/h3-6,8,10-13,25H,7,9H2,1-2H3,(H,26,29)(H,27,28)/b20-12-
InChIKeyYAHVZVQVATYZMK-NDENLUEZSA-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 | FGFR1 | VEGFR2 | ALL
Pub Chem Link 5329143
Drug Bank Link -
ChemSpider Link 4486305
ChEMBL Link CHEMBL148514
 
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