Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001066
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-methoxybut-2-enamide
FormulaC19H17BrN4O2
Mass413.268
Exact Mass412.0534885
Composition C (55.22%), H (4.15%), Br (19.33%), N (13.56%), O (7.74%)
Atom Count43
PI9.13
Smilesc12c(ccc(c1)NC(=O)/C=C/COC)ncnc2Nc1cccc(c1)Br
InChI1S/C19H17BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2-8,
10-12H,9H2,1H3,(H,23,25)(H,21,22,24)/b6-3+
InChIKeyVHGGLPYMJXZJFI-ZZXKWVIFSA-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
Reference11495584
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 5328983
Drug Bank Link -
ChemSpider Link 4486145
ChEMBL Link CHEMBL92882
 
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