Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002832
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article71 compound
IUPAC Name(2E)-3-(3,4-dihydroxyphenyl)-2-[(E)-(piperidin-1-yl)carbonyl]prop-2-enenitrile
FormulaC15H16N2O3
Mass272.2991
Exact Mass272.1160924
Composition C (66.16%), H (5.92%), N (10.29%), O (17.63%)
Atom Count36
PI4.34
SmilesC(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)N1CCCCC1
InChI1S/C15H16N2O3/c16-10-12(15(20)17-6-2-1-3-7-17)8-11-4-5-13(18)14(19)9-11/h4-5,8-9,18-19H,1-3,6-7H2/b1
2-8+
InChIKeyLNRHMUVQCQDANC-XYOKQWHBSA-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 5328835
Drug Bank Link -
ChemSpider Link 4485997
ChEMBL Link CHEMBL291753
 
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