Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000744
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article41 compound
IUPAC Name4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine
FormulaC16H15BrN4
Mass343.221
Exact Mass342.0480091
Composition C (55.99%), H (4.41%), Br (23.28%), N (16.32%)
Atom Count36
PI10.93
Smilesc12c(cc(cc1)NCC)ncnc2Nc1cccc(c1)Br
InChI1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,1
9,20,21)
InChIKeyGXYLLTHBINHTRN-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
Reference8568816
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328209
Drug Bank Link -
ChemSpider Link 4485374
ChEMBL Link CHEMBL420254
 
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