Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004815
Inhibitor ClassNicotinamide
Molecule Name in Refrence Article9
IUPAC Name5-bromo-N-[(4-bromophenyl)sulfonyl]pyridine-3-carboxamide
FormulaC12H8Br2N2O3S
Mass420.077
Exact Mass417.8622381
Composition C (34.31%), H (1.92%), Br (38.04%), N (6.67%), O (11.43%), S (7.63%)
Atom Count28
PI3.03
Smilesc1c(cncc1C(=O)NS(=O)(=O)c1ccc(cc1)Br)Br
InChI1S/C12H8Br2N2O3S/c13-9-1-3-11(4-2-9)20(18,19)16-12(17)8-5-10(14)7-15-6-8/h1-7H,(H,16,17)
InChIKeyKTKIBNBEIMRNSC-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
Reference22277588
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 47108773
Drug Bank Link -
ChemSpider Link 28480219
ChEMBL Link CHEMBL1945447
 
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