Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004165
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleHTS02741
IUPAC Nameethyl 3-[(4-bromo-5-chlorothiophen-2-yl)sulfonamido]-4-(morpholin-4-yl)benzoate
FormulaC17H18BrClN2O5S2
Mass509.822
Exact Mass507.9529034
Composition C (40.05%), H (3.56%), Br (15.67%), Cl (6.95%), N (5.49%), O (15.69%), S (12.58%)
Atom Count46
PI2.05
Smilesc1(c(ccc(c1)C(=O)OCC)N1CCOCC1)NS(=O)(=O)c1cc(c(s1)Cl)Br
InChI1S/C17H18BrClN2O5S2/c1-2-26-17(22)11-3-4-14(21-5-7-25-8-6-21)13(9-11)20-28(23,24)15-10-12(18)16(19)2
7-15/h3-4,9-10,20H,2,5-8H2,1H3
InChIKeyQNBDIJUSIIMDQQ-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
Reference19170633
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 2810857
Drug Bank Link -
ChemSpider Link 2089272
ChEMBL Link CHEMBL461782
 
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