Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000393
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article35 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-8-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC23H22BrN5O2
Mass480.357
Exact Mass479.0956876
Composition C (57.51%), H (4.62%), Br (16.63%), N (14.58%), O (6.66%)
Atom Count53
PI11.45
Smilesc12c(c(cc(c1)NC(=O)/C=C/CN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N
InChI1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(1
2-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+
InChIKeyMPNMKIMGGUGYMJ-VMPITWQZSA-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
Reference12502359
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 11102890
Drug Bank Link -
ChemSpider Link 9278032
ChEMBL Link CHEMBL116857
 
TOP