Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002598
Inhibitor ClassAmino-salicylate
Molecule Name in Refrence Article21 compound
IUPAC Namemethyl 3-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate
FormulaC15H15NO4
Mass273.2839
Exact Mass273.100108
Composition C (65.92%), H (5.53%), N (5.13%), O (23.42%)
Atom Count35
PI6.14
Smilesc1(c(ccc(c1)O)O)CNc1cc(C(=O)OC)ccc1
InChI1S/C15H15NO4/c1-20-15(19)10-3-2-4-12(7-10)16-9-11-8-13(17)5-6-14(11)18/h2-8,16-18H,9H2,1H3
InChIKeyHTWAXGHCHPIQLQ-UHFFFAOYSA-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 10468511
Drug Bank Link -
ChemSpider Link 8643922
ChEMBL Link CHEMBL334334
 
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