Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002589
Inhibitor ClassAmino-salicylate
Molecule Name in Refrence Article12 compound
IUPAC Namemethyl 5-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate
FormulaC15H13NO5
Mass287.2674
Exact Mass287.0793725
Composition C (62.72%), H (4.56%), N (4.88%), O (27.85%)
Atom Count34
PI5.11
Smilesc1(C(=O)OC)c(ccc(/N=C/c2c(cc(cc2)O)O)c1)O
InChI1S/C15H13NO5/c1-21-15(20)12-6-10(3-5-13(12)18)16-8-9-2-4-11(17)7-14(9)19/h2-8,17-19H,1H3/b16-8+
InChIKeyKCCILHAGLXCMER-LZYBPNLTSA-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
Reference8258833
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 15857251
Drug Bank Link -
ChemSpider Link 23210076
ChEMBL Link CHEMBL130523
 
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