Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001247
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article60 compound
IUPAC Name(2E)-2-cyano-N-cyclohexyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
FormulaC16H18N2O3
Mass286.3257
Exact Mass286.1317425
Composition C (67.12%), H (6.34%), N (9.78%), O (16.76%)
Atom Count39
PI4.33
Smilesc1(ccc(c(c1)O)O)/C=C(/C(=O)NC1CCCCC1)C#N
InChI1S/C16H18N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h6-9,13,19-20H,1-5H2,(H,1
8,21)/b12-8+
InChIKeyXMFXBOGXTNAKKW-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 | 8098709 |
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 2385464
Drug Bank Link -
ChemSpider Link 1781949
ChEMBL Link CHEMBL417941
 
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