Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003901
Inhibitor ClassIndolinone
Molecule Name in Refrence Article9i compound
IUPAC Name3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
FormulaC27H26N2O4
Mass442.5063
Exact Mass442.1892573
Composition C (73.28%), H (5.92%), N (6.33%), O (14.46%)
Atom Count59
PI1.05
Smilesc1(c(c2c([nH]1)CCCC2)CCC(=O)O)/C=C/1C(=O)Nc2c1ccc(c2)c1ccc(cc1)OC
InChI1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-
4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-
InChIKeyIEDHIXOGGAHSLI-JCMHNJIXSA-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
Reference10893303
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | PDGFR beta | p60c-Src | FGFR1 | ALL
Pub Chem Link 5329171
Drug Bank Link -
ChemSpider Link 4486333 21201334
ChEMBL Link CHEMBL91815
 
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