Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002826
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article62 compound
IUPAC Name(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
FormulaC20H20N2O5
Mass368.3832
Exact Mass368.1372218
Composition C (65.21%), H (5.47%), N (7.6%), O (21.72%)
Atom Count47
PI3.93
SmilesC(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)NCCc1ccc(c(c1)OC)OC
InChI1S/C20H20N2O5/c1-26-18-6-4-13(11-19(18)27-2)7-8-22-20(25)15(12-21)9-14-3-5-16(23)17(24)10-14/h3-6,9-
11,23-24H,7-8H2,1-2H3,(H,22,25)/b15-9+
InChIKeySPPRJVVDZRWCNP-OQLLNIDSSA-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
Reference1676428
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328777
Drug Bank Link -
ChemSpider Link 4485939
ChEMBL Link CHEMBL56455
 
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