Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004130
Inhibitor ClassPyrrole-dione
Molecule Name in Refrence Article26 compound
IUPAC Name4-{1-[(benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
FormulaC29H28N2O5
Mass484.543
Exact Mass484.199822
Composition C (71.88%), H (5.82%), N (5.78%), O (16.51%)
Atom Count64
PI7.23
SmilesC1(=C(CNC1=O)c1cn(c2c1cccc2)COCc1ccccc1)c1cc(c(c(c1)OC)OC)OC
InChI1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)
24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
InChIKeyPRGQUWCDXPFMCG-UHFFFAOYSA-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
Reference18529047
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTIE2 | VEGFR3 | VEGFR2 | IGF1R | FLT3 | EPHB4 | FAK | SRC | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23329598
ChEMBL Link CHEMBL453336
 
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