Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000743
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article40 compound
IUPAC Name4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diamine
FormulaC15H13BrN4
Mass329.195
Exact Mass328.0323591
Composition C (54.73%), H (3.98%), Br (24.27%), N (17.02%)
Atom Count33
PI10.94
Smilesc12c(cc(cc1)NC)ncnc2Nc1cccc(c1)Br
InChI1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
InChIKeyNJCGPPRBJLJTPA-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 5328208
Drug Bank Link -
ChemSpider Link 4485373
ChEMBL Link CHEMBL92812
 
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