Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003310
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7d compound
IUPAC Name(2E)-N-(4-{[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
FormulaC26H23ClN6O2S2
Mass551.083
Exact Mass550.1012431
Composition C (56.67%), H (4.21%), Cl (6.43%), N (15.25%), O (5.81%), S (11.64%)
Atom Count60
PI10.68
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(Sc2nccs2)cc1)Cl
InChI1S/C26H23ClN6O2S2/c1-33(2)9-4-5-24(34)32-21-12-18-20(13-22(21)35-3)30-15-16(14-28)25(18)31-17-6-7-23
(19(27)11-17)37-26-29-8-10-36-26/h4-8,10-13,15H,9H2,1-3H3,(H,30,31)(H,32,34)/b5-4+
InChIKeyVAEBOYGSUMEZLQ-SNAWJCMRSA-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 11203663
Drug Bank Link -
ChemSpider Link 9378731
ChEMBL Link CHEMBL179572
 
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