Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002937
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article14 compound
IUPAC Name5-[methyl(phenyl)amino]-6-(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC21H17N3O2
Mass343.3786
Exact Mass343.1320768
Composition C (73.45%), H (4.99%), N (12.24%), O (9.32%)
Atom Count43
PI3.64
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Nc1ccccc1)N(c1ccccc1)C
InChI1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-1
3,22H,1H3,(H,23,25,26)
InChIKeyFWGDADVNSIYRAD-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 enzymesv-ab1 | PKA | RKC | c-Src | EGFR | ALL
Pub Chem Link 10066030
Drug Bank Link -
ChemSpider Link 8241570
ChEMBL Link CHEMBL7775
 
TOP