Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003799
Inhibitor ClassIndolinone
Molecule Name in Refrence Article11a compound
IUPAC Name3-(4-methyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
FormulaC17H16N2O3
Mass296.3205
Exact Mass296.1160924
Composition C (68.91%), H (5.44%), N (9.45%), O (16.2%)
Atom Count38
PI1.01
Smilesc1ccc2c(c1)/C(=C/c1[nH]cc(c1C)CCC(=O)O)/C(=O)N2
InChI1S/C17H16N2O3/c1-10-11(6-7-16(20)21)9-18-15(10)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,
1H3,(H,19,22)(H,20,21)/b13-8-
InChIKeyXZLCDAKBNFQCMU-JYRVWZFOSA-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 5329138
Drug Bank Link -
ChemSpider Link 4486300
ChEMBL Link CHEMBL344319
 
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