Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003352
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25p compound
IUPAC Name(2E)-N-(4-{[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
FormulaC30H29ClN6O3
Mass557.043
Exact Mass556.1989665
Composition C (64.68%), H (5.25%), Cl (6.36%), N (15.09%), O (8.62%)
Atom Count69
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cnccc2)cc1)Cl
InChI1S/C30H29ClN6O3/c1-4-39-28-15-25-23(14-26(28)36-29(38)8-6-12-37(2)3)30(21(16-32)18-34-25)35-22-9-10-
27(24(31)13-22)40-19-20-7-5-11-33-17-20/h5-11,13-15,17-18H,4,12,19H2,1-3H3,(H,34,35)(H,36,38)/b8-6+
InChIKeyNYRHVFBFQMTSLO-SOFGYWHQSA-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 11238293
Drug Bank Link -
ChemSpider Link 9413336
ChEMBL Link CHEMBL179313
 
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