Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003524
Inhibitor ClassAmino-salicylate
Molecule Name in Refrence Article9 compound
IUPAC Namemethyl 5-(2,5-dimethoxyphenoxymethyl)-2-hydroxybenzoate
FormulaC17H18O6
Mass318.3212
Exact Mass318.1103383
Composition C (64.14%), H (5.7%), O (30.16%)
Atom Count41
PI2.9
Smilesc1(C(=O)OC)c(ccc(c1)COc1c(ccc(c1)OC)OC)O
InChI1S/C17H18O6/c1-20-12-5-7-15(21-2)16(9-12)23-10-11-4-6-14(18)13(8-11)17(19)22-3/h4-9,18H,10H2,1-3H3
InChIKeyXIHOKNLBBUFWCW-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
Reference7990108
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 10087223
Drug Bank Link -
ChemSpider Link 8262760
ChEMBL Link CHEMBL134181
 
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