Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002934
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article11 compound
IUPAC Name5,6-bis[(4-phenylphenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC32H23N3O2
Mass481.5439
Exact Mass481.179027
Composition C (79.81%), H (4.81%), N (8.73%), O (6.65%)
Atom Count60
PI3.75
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Nc1ccc(c2ccccc2)cc1)Nc1ccc(c2ccccc2)cc1
InChI1S/C32H23N3O2/c36-31-27-19-29(33-25-15-11-23(12-16-25)21-7-3-1-4-8-21)30(20-28(27)32(37)35-31)34-26-
17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20,33-34H,(H,35,36,37)
InChIKeyAVGVNDBIYKJMCJ-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
Reference8151612
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesEGFR | PKA | RKC | ALL
Pub Chem Link 10345125
Drug Bank Link -
ChemSpider Link 8520583
ChEMBL Link CHEMBL7929
 
TOP