Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002810
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article28 compound
IUPAC Name(2E)-3-(3,4-dihydroxyphenyl)-2-[(E)-(4-methylphenyl)carbonyl]prop-2-enenitrile
FormulaC17H13NO3
Mass279.29
Exact Mass279.0895433
Composition C (73.11%), H (4.69%), N (5.02%), O (17.19%)
Atom Count34
PINo isoelectric point.
Smilesc1c(c(ccc1/C=C(/C(=O)c1ccc(cc1)C)C#N)O)O
InChI1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
InChIKeyZALNJTCOAIAQFA-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
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 5328762
Drug Bank Link -
ChemSpider Link 4485924
ChEMBL Link CHEMBL54471
 
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