Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003364
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article38 compound
IUPAC Name(2E)-N-{4-[(3-chloro-4-{[(phenylamino)methyl]amino}phenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC30H30ClN7O2
Mass556.058
Exact Mass555.2149509
Composition C (64.8%), H (5.44%), Cl (6.38%), N (17.63%), O (5.75%)
Atom Count70
PI10.68
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(NCNc2ccccc2)cc1)Cl
InChI1S/C30H30ClN7O2/c1-38(2)13-7-10-29(39)37-27-15-23-26(16-28(27)40-3)33-18-20(17-32)30(23)36-22-11-12-
25(24(31)14-22)35-19-34-21-8-5-4-6-9-21/h4-12,14-16,18,34-35H,13,19H2,1-3H3,(H,33,36)(H,37,39)/b10-7
+
InChIKeyZVJKJOPDVJJONM-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 -
Drug Bank Link -
ChemSpider Link 23244488
ChEMBL Link CHEMBL178096
 
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