Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002882
Inhibitor ClassAmino-salicylate
Molecule Name in Refrence ArticleI14 compound
IUPAC Nameethyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate
FormulaC16H15NO5
Mass301.294
Exact Mass301.0950226
Composition C (63.78%), H (5.02%), N (4.65%), O (26.55%)
Atom Count37
PI5.03
Smilesc1(C(=O)OCC)c(ccc(/N=C/c2c(ccc(c2)O)O)c1)O
InChI1S/C16H15NO5/c1-2-22-16(21)13-8-11(3-5-15(13)20)17-9-10-7-12(18)4-6-14(10)19/h3-9,18-20H,2H2,1H3/b17
-9+
InChIKeyWXNCETJKYPKTDT-RQZCQDPDSA-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
Reference8145236
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 -
Drug Bank Link -
ChemSpider Link 23238668
ChEMBL Link CHEMBL354521
 
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