Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001257
Inhibitor ClassChrysin
Molecule Name in Refrence Article6 compound
IUPAC Namenonyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate
FormulaC26H30O6
Mass438.5128
Exact Mass438.2042387
Composition C (71.21%), H (6.9%), O (21.89%)
Atom Count62
PI1.82
Smilesc12c(c(cc(c1)OCC(=O)OCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1
InChI1S/C26H30O6/c1-2-3-4-5-6-7-11-14-30-25(29)18-31-20-15-21(27)26-22(28)17-23(32-24(26)16-20)19-12-9-8-
10-13-19/h8-10,12-13,15-17,27H,2-7,11,14,18H2,1H3
InChIKeyNTHHJNPNFHMTQC-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
Reference20056425
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 46231627
Drug Bank Link -
ChemSpider Link 24649335
ChEMBL Link CHEMBL599145
 
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