Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002936
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article13 compound
IUPAC Name1,4-diphenyl-1H,2H,3H,4H,6H,7H,8H-pyrrolo[3,4-g]quinoxaline-6,8-dione
FormulaC22H17N3O2
Mass355.3893
Exact Mass355.1320768
Composition C (74.35%), H (4.82%), N (11.82%), O (9%)
Atom Count44
PI3.11
Smilesc12c(N(CCN1c1ccccc1)c1ccccc1)cc1C(=O)NC(=O)c1c2
InChI1S/C22H17N3O2/c26-21-17-13-19-20(14-18(17)22(27)23-21)25(16-9-5-2-6-10-16)12-11-24(19)15-7-3-1-4-8-1
5/h1-10,13-14H,11-12H2,(H,23,26,27)
InChIKeyDNRPTTQOSZQOGJ-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 | c-Src | v-ab1 | PKA | RKC | ALL
Pub Chem Link 10450849
Drug Bank Link -
ChemSpider Link 8626266
ChEMBL Link CHEMBL266255
 
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