Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003798
Inhibitor ClassIndolinone
Molecule Name in Refrence Article9d compound
IUPAC Name3-(2-{[(3Z)-6-(3-ethoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
FormulaC25H24N2O4
Mass416.4691
Exact Mass416.1736073
Composition C (72.1%), H (5.81%), N (6.73%), O (15.37%)
Atom Count55
PI1.01
SmilesC1(=C/c2c(c(c[nH]2)C)CCC(=O)O)/C(=O)Nc2c1ccc(c2)c1cc(OCC)ccc1
InChI1S/C25H24N2O4/c1-3-31-18-6-4-5-16(11-18)17-7-8-20-21(25(30)27-23(20)12-17)13-22-19(9-10-24(28)29)15(
2)14-26-22/h4-8,11-14,26H,3,9-10H2,1-2H3,(H,27,30)(H,28,29)/b21-13-
InChIKeyOYFXUFAPLNTDRA-BKUYFWCQSA-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 enzymesVEGFR2 | PDGFR beta | FGFR1 | ALL
Pub Chem Link 5329137
Drug Bank Link -
ChemSpider Link 4486299
ChEMBL Link CHEMBL443296
 
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