Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002716
Inhibitor ClassAcrylo-phenone
Molecule Name in Refrence Article2 compound
IUPAC Name1-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]prop-2-en-1-one
FormulaC19H21NO2
Mass295.3755
Exact Mass295.1572289
Composition C (77.26%), H (7.17%), N (4.74%), O (10.83%)
Atom Count43
PINo isoelectric point.
SmilesCN(C)CC(=C)C(=O)c1ccc(OCc2ccccc2)cc1
InChI1S/C19H21NO2/c1-15(13-20(2)3)19(21)17-9-11-18(12-10-17)22-14-16-7-5-4-6-8-16/h4-12H,1,13-14H2,2-3H3
InChIKeyHXXAYPIGMDAGIS-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
Reference7608909
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src | v-ab1 | PKC | ALL
Pub Chem Link 10266516
Drug Bank Link -
ChemSpider Link 8441995
ChEMBL Link CHEMBL1194559
 
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