Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004789
Inhibitor ClassNicotinamide
Molecule Name in Refrence Article12
IUPAC Name2-chloro-N-[(4-methylphenyl)sulfonyl]pyridine-3-carboxamide
FormulaC13H11ClN2O3S
Mass310.756
Exact Mass310.0178906
Composition C (50.24%), H (3.57%), Cl (11.41%), N (9.01%), O (15.45%), S (10.32%)
Atom Count31
PI2.03
Smilesc1ccnc(c1C(=O)NS(=O)(=O)c1ccc(cc1)C)Cl
InChI1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyZDXJEAOWBMHNTI-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 57396218
Drug Bank Link -
ChemSpider Link 28477880
ChEMBL Link CHEMBL1945450
 
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