Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000739
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article36 compound
IUPAC Name4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine
FormulaC16H15BrN4
Mass343.221
Exact Mass342.0480091
Composition C (55.99%), H (4.41%), Br (23.28%), N (16.32%)
Atom Count36
PI10.52
Smilesc12c(ccc(c1)N(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C16H15BrN4/c1-21(2)13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,18,19,
20)
InChIKeyBNMOXMJDRLQWOW-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328204
Drug Bank Link -
ChemSpider Link 4485369
ChEMBL Link CHEMBL52015
 
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