Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002724
Inhibitor ClassAcrylo-phenone
Molecule Name in Refrence Article10 compound
IUPAC Name1-[4-(benzyloxy)phenyl]-3-(dimethylamino)propan-1-one
FormulaC18H21NO2
Mass283.3648
Exact Mass283.1572289
Composition C (76.29%), H (7.47%), N (4.94%), O (11.29%)
Atom Count42
PI12.09
SmilesCN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1
InChI1S/C18H21NO2/c1-19(2)13-12-18(20)16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKeyYILRQOFYISHQCQ-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
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Reported activity against other enzymesc-Src | PKC | v-ab1 | ALL
Pub Chem Link 3039851
Drug Bank Link -
ChemSpider Link 2303301
ChEMBL Link CHEMBL1193376
 
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