Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000645
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence ArticlePD160879
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-7-yl}but-2-enamide
FormulaC18H15BrN4O
Mass383.242
Exact Mass382.0429238
Composition C (56.41%), H (3.95%), Br (20.85%), N (14.62%), O (4.17%)
Atom Count39
PI8.76
Smilesc12c(cc(cc1)NC(=O)/C=C/C)ncnc2Nc1cccc(c1)Br
InChI1S/C18H15BrN4O/c1-2-4-17(24)22-14-7-8-15-16(10-14)20-11-21-18(15)23-13-6-3-5-12(19)9-13/h2-11H,1H3,(
H,22,24)(H,20,21,23)/b4-2+
InChIKeyDLDLSHFGFDPLKJ-DUXPYHPUSA-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
Reference9751783
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 10068517
Drug Bank Link -
ChemSpider Link 8244057
ChEMBL Link CHEMBL511874
 
TOP