Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003366
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7h compound
IUPAC Name(2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-[(2-hydroxyethyl)(methyl)amino]but-2-enamide
FormulaC32H32ClN5O4
Mass586.081
Exact Mass585.2142822
Composition C (65.58%), H (5.5%), Cl (6.05%), N (11.95%), O (10.92%)
Atom Count74
PI10.51
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(CCO)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl
InChI1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-
24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,4
0)/b10-7+
InChIKeyXQMZYPWMBLSXOO-JXMROGBWSA-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 11365297
Drug Bank Link -
ChemSpider Link 9540222
ChEMBL Link CHEMBL361343
 
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