Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002941
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article18 compound
IUPAC Name2-methyl-5,6-bis(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
PI8.14
Smilesc1cccc(c1)Nc1c(cc2c(c1)C(=O)N(C2=O)C)Nc1ccccc1
InChI1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-1
3,22-23H,1H3
InChIKeyTVXMUKJNBYIOBU-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 enzymesRKC | EGFR | PKA | ALL
Pub Chem Link 10246831
Drug Bank Link -
ChemSpider Link 8422318
ChEMBL Link CHEMBL8036
 
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