Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002938
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article15 compound
IUPAC Name5,6-bis[methyl(phenyl)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
PI3.27
SmilesN1C(=O)c2c(C1=O)cc(c(c2)N(c1ccccc1)C)N(c1ccccc1)C
InChI1S/C22H19N3O2/c1-24(15-9-5-3-6-10-15)19-13-17-18(22(27)23-21(17)26)14-20(19)25(2)16-11-7-4-8-12-16/h
3-14H,1-2H3,(H,23,26,27)
InChIKeyPNXRSOJTSRJLPV-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 | EGFR | v-ab1 | PKA | RKC | ALL
Pub Chem Link 10360971
Drug Bank Link -
ChemSpider Link 8536420
ChEMBL Link CHEMBL267941
 
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