Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002928
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article5 compound
IUPAC Name5,6-bis[(4-methylphenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC22H19N3O2
Mass357.4052
Exact Mass357.1477269
Composition C (73.93%), H (5.36%), N (11.76%), O (8.95%)
Atom Count46
PI4.05
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Nc1ccc(cc1)C)Nc1ccc(cc1)C
InChI1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h
3-12,23-24H,1-2H3,(H,25,26,27)
InChIKeyKSZXNFIEZNOXCC-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
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Reported activity against other enzymesc-Src | RKC | v-ab1 | PKA | EGFR | ALL
Pub Chem Link 10360970
Drug Bank Link -
ChemSpider Link 8536419
ChEMBL Link CHEMBL7914
 
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