Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003813
Inhibitor ClassIndolinone
Molecule Name in Refrence Article16f compound
IUPAC Name3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
FormulaC24H22N2O3
Mass386.4431
Exact Mass386.1630426
Composition C (74.59%), H (5.74%), N (7.25%), O (12.42%)
Atom Count51
PI1.04
Smilesc1(/C=C/2C(=O)Nc3c2ccc(c3)c2ccccc2)[nH]c(c(c1C)CCC(=O)O)C
InChI1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-
7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13-
InChIKeyAPYYTEJNOZQZNA-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 5329150
Drug Bank Link -
ChemSpider Link 4486312 26470833 21202094
ChEMBL Link CHEMBL149201
 
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