Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002940
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article17 compound
IUPAC Name2-phenyl-5,6-bis(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC26H19N3O2
Mass405.448
Exact Mass405.1477269
Composition C (77.02%), H (4.72%), N (10.36%), O (7.89%)
Atom Count50
PI7.87
SmilesN1(C(=O)c2c(C1=O)cc(c(c2)Nc1ccccc1)Nc1ccccc1)c1ccccc1
InChI1S/C26H19N3O2/c30-25-21-16-23(27-18-10-4-1-5-11-18)24(28-19-12-6-2-7-13-19)17-22(21)26(31)29(25)20-1
4-8-3-9-15-20/h1-17,27-28H
InChIKeyLRCXLVSLCVACQP-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 enzymesEGFR | PKA | RKC | ALL
Pub Chem Link 10046873
Drug Bank Link -
ChemSpider Link 8222436
ChEMBL Link CHEMBL8000
 
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