Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002723
Inhibitor ClassAcrylo-phenone
Molecule Name in Refrence Article9 compound
IUPAC Name4-{2-[(dimethylamino)methyl]prop-2-enoyl}phenyl 4-{[(dimethylamino)oxy]methyl}-3-hydroxybenzene-1-sulfonate
FormulaC21H26N2O6S
Mass434.506
Exact Mass434.1511573
Composition C (58.05%), H (6.03%), N (6.45%), O (22.09%), S (7.38%)
Atom Count56
PI7.58
SmilesCN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2cc(c(cc2)CON(C)C)O)cc1
InChI1S/C21H26N2O6S/c1-15(13-22(2)3)21(25)16-6-9-18(10-7-16)29-30(26,27)19-11-8-17(20(24)12-19)14-28-23(4
)5/h6-12,24H,1,13-14H2,2-5H3
InChIKeyCENQGFVZUQEMPT-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 | PKC | v-ab1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL1194428
 
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