Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002879
Inhibitor ClassAmino-salicylate
Molecule Name in Refrence ArticleI11 compound
IUPAC NameN-(benzyloxy)-5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzamide
FormulaC21H18N2O5
Mass378.378
Exact Mass378.1215717
Composition C (66.66%), H (4.79%), N (7.4%), O (21.14%)
Atom Count46
PI4.48
Smilesc1(ccc(cc1/C=N/c1cc(c(cc1)O)C(=O)NOCc1ccccc1)O)O
InChI1S/C21H18N2O5/c24-17-7-9-19(25)15(10-17)12-22-16-6-8-20(26)18(11-16)21(27)23-28-13-14-4-2-1-3-5-14/h
1-12,24-26H,13H2,(H,23,27)/b22-12+
InChIKeyLPFFQDGMAXADNG-WSDLNYQXSA-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 12648622
Drug Bank Link -
ChemSpider Link 23238667
ChEMBL Link CHEMBL355877
 
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