Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004722
Inhibitor ClassNicotinamide
Molecule Name in Refrence Article20
IUPAC Name6-chloro-N-[(4-chlorophenyl)sulfonyl]pyridine-3-carboxamide
FormulaC12H8Cl2N2O3S
Mass331.175
Exact Mass329.9632682
Composition C (43.52%), H (2.43%), Cl (21.41%), N (8.46%), O (14.49%), S (9.68%)
Atom Count28
PI1.91
Smilesc1cc(ncc1C(=O)NS(=O)(=O)c1ccc(cc1)Cl)Cl
InChI1S/C12H8Cl2N2O3S/c13-9-2-4-10(5-3-9)20(18,19)16-12(17)8-1-6-11(14)15-7-8/h1-7H,(H,16,17)
InChIKeyRHWDALMOXXJFOR-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 57397974
Drug Bank Link -
ChemSpider Link 28431280
ChEMBL Link CHEMBL1945645
 
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