Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003385
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article77 compound
IUPAC Name(2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enamide
FormulaC32H27ClN6O3
Mass579.048
Exact Mass578.1833165
Composition C (66.37%), H (4.7%), Cl (6.12%), N (14.51%), O (8.29%)
Atom Count69
PI9.23
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/c1ncn(c1)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl
InChI1S/C32H27ClN6O3/c1-3-41-30-15-27-25(14-28(30)38-31(40)12-10-24-18-39(2)20-36-24)32(22(16-34)17-35-27
)37-23-9-11-29(26(33)13-23)42-19-21-7-5-4-6-8-21/h4-15,17-18,20H,3,19H2,1-2H3,(H,35,37)(H,38,40)/b12
-10+
InChIKeyFAEABHLBQFONPS-ZRDIBKRKSA-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
Reference15715478
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 -
Drug Bank Link -
ChemSpider Link 23244491
ChEMBL Link CHEMBL368234
 
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