Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002820
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article50 compound
IUPAC Name(2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
FormulaC18H16N2O3
Mass308.3312
Exact Mass308.1160924
Composition C (70.12%), H (5.23%), N (9.09%), O (15.57%)
Atom Count39
PI3.66
SmilesN(C(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)[C@@H](c1ccccc1)C
InChI1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3
,(H,20,23)/b15-9+/t12-/m1/s1
InChIKeyUMGQVUWXNOJOSJ-KMHUVPDISA-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 5328772
Drug Bank Link -
ChemSpider Link 4485934
ChEMBL Link CHEMBL55979
 
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