Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003367
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7i compound
IUPAC Name(2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-{1-methyl-2-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]hydrazin-1-yl}but-2-enamide
FormulaC36H41ClN6O8
Mass721.199
Exact Mass720.26744
Composition C (59.95%), H (5.73%), Cl (4.92%), N (11.65%), O (17.75%)
Atom Count92
PI8.59
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(NC[C@H]([C@H]([C@@H]([C@@H](O)CO)O)O)O)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl
InChI1S/C36H41ClN6O8/c1-3-50-32-16-27-25(15-28(32)42-33(47)10-7-13-43(2)40-19-29(45)35(48)36(49)30(46)20-
44)34(23(17-38)18-39-27)41-24-11-12-31(26(37)14-24)51-21-22-8-5-4-6-9-22/h4-12,14-16,18,29-30,35-36,
40,44-46,48-49H,3,13,19-21H2,1-2H3,(H,39,41)(H,42,47)/b10-7+/t29-,30+,35-,36-/m1/s1
InChIKeyRGWCDYFHPBVQSW-USBOKROUSA-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 23244502
ChEMBL Link CHEMBL368691
 
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