Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003815
Inhibitor ClassIndolinone
Molecule Name in Refrence Article16h compound
IUPAC Name3-(5-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-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
PI1.04
Smilesc1(/C=C/2C(=O)Nc3c2ccc(c3)c2c(OC)cccc2)[nH]c(c(c1C)CCC(=O)O)C
InChI1S/C25H24N2O4/c1-14-17(10-11-24(28)29)15(2)26-21(14)13-20-19-9-8-16(12-22(19)27-25(20)30)18-6-4-5-7-
23(18)31-3/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,30)(H,28,29)/b20-13-
InChIKeyMPBRWFJYTOVGPY-MOSHPQCFSA-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 5329152
Drug Bank Link -
ChemSpider Link 4486314
ChEMBL Link CHEMBL146694
 
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