Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003477
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16 compound
IUPAC Name6-[(2E)-3-benzyltriaz-2-en-1-yl]-N-(3-bromophenyl)quinazolin-4-amine
FormulaC21H17BrN6
Mass433.304
Exact Mass432.0698072
Composition C (58.21%), H (3.95%), Br (18.44%), N (19.4%)
Atom Count45
PI10.19
Smilesc1(c2c(ncn1)ccc(N/N=N/Cc1ccccc1)c2)Nc1cc(Br)ccc1
InChI1S/C21H17BrN6/c22-16-7-4-8-17(11-16)26-21-19-12-18(9-10-20(19)23-14-24-21)27-28-25-13-15-5-2-1-3-6-1
5/h1-12,14H,13H2,(H,25,27)(H,23,24,26)
InChIKeyIEJGXNCMVRIUTE-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
Reference13678409
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 11080556
Drug Bank Link -
ChemSpider Link 9255705
ChEMBL Link CHEMBL424093
 
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