Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000747
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article44 compound
IUPAC Name4-N-(3-bromophenyl)-7-N-methylquinazoline-4,6,7-triamine
FormulaC15H14BrN5
Mass344.209
Exact Mass343.0432581
Composition C (52.34%), H (4.1%), Br (23.21%), N (20.35%)
Atom Count35
PI11.65
Smilesc12c(cc(c(c1)N)NC)ncnc2Nc1cccc(c1)Br
InChI1S/C15H14BrN5/c1-18-14-7-13-11(6-12(14)17)15(20-8-19-13)21-10-4-2-3-9(16)5-10/h2-8,18H,17H2,1H3,(H,1
9,20,21)
InChIKeyWUWMKQIRTKOCMN-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 4706
Drug Bank Link -
ChemSpider Link 4544
ChEMBL Link CHEMBL92937
 
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