Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003322
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article8h compound
IUPAC Name(2E)-N-{4-[(1-benzyl-1H-indazol-5-yl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC31H29N7O2
Mass531.6077
Exact Mass531.2382732
Composition C (70.04%), H (5.5%), N (18.44%), O (6.02%)
Atom Count69
PI10.68
Smilesn1(ncc2c1ccc(Nc1c3c(ncc1C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OC)c2)Cc1ccccc1
InChI1S/C31H29N7O2/c1-37(2)13-7-10-30(39)36-27-15-25-26(16-29(27)40-3)33-18-23(17-32)31(25)35-24-11-12-28
-22(14-24)19-34-38(28)20-21-8-5-4-6-9-21/h4-12,14-16,18-19H,13,20H2,1-3H3,(H,33,35)(H,36,39)/b10-7+
InChIKeyWOAVUZPOSJDYLY-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 11398461
Drug Bank Link -
ChemSpider Link 9573361
ChEMBL Link CHEMBL180227
 
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