Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002935
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article12 compound
IUPAC Name5-[(4-methoxyphenyl)amino]-6-(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC21H17N3O3
Mass359.378
Exact Mass359.1269914
Composition C (70.18%), H (4.77%), N (11.69%), O (13.36%)
Atom Count44
PI4.21
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Nc1ccccc1)Nc1ccc(cc1)OC
InChI1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h
2-12,22-23H,1H3,(H,24,25,26)
InChIKeyLESFPZSUPOHBIP-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 | PKA | RKC | v-ab1 | ALL
Pub Chem Link 10043994
Drug Bank Link -
ChemSpider Link 8219558
ChEMBL Link CHEMBL8095
 
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