Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002828
Inhibitor ClassCinnamide
Molecule Name in Refrence Article42 compound
IUPAC Name(2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
FormulaC17H14N2O3
Mass294.3047
Exact Mass294.1004423
Composition C (69.38%), H (4.79%), N (9.52%), O (16.31%)
Atom Count36
PI3.79
SmilesC(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)NCc1ccccc1
InChI1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19
,22)/b14-8+
InChIKeyTUCIOBMMDDOEMM-RIYZIHGNSA-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 | 10464027 | 11462969 |
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 5328779
Drug Bank Link -
ChemSpider Link 4485941
ChEMBL Link CHEMBL56543
 
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