Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002722
Inhibitor ClassAcrylo-phenone
Molecule Name in Refrence Article8 compound
IUPAC Name4-[(4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenoxy)sulfonyl]-2-hydroxybenzoic acid
FormulaC19H19NO7S
Mass405.422
Exact Mass405.0882227
Composition C (56.29%), H (4.72%), N (3.45%), O (27.62%), S (7.91%)
Atom Count47
PI4.89
SmilesCN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2cc(c(cc2)C(=O)O)O)cc1
InChI1S/C19H19NO7S/c1-12(11-20(2)3)18(22)13-4-6-14(7-5-13)27-28(25,26)15-8-9-16(19(23)24)17(21)10-15/h4-1
0,21H,1,11H2,2-3H3,(H,23,24)
InChIKeyXXJAESUNECCYKY-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 enzymesv-ab1 | PKC | c-Src | ALL
Pub Chem Link 10408993
Drug Bank Link -
ChemSpider Link 8584430
ChEMBL Link CHEMBL310580
 
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