Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002796
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article12 compound
IUPAC Name2-({4-[(methylsulfanyl)oxy]phenyl}methylidene)propanedinitrile
FormulaC11H8N2OS
Mass216.259
Exact Mass216.0357336
Composition C (61.09%), H (3.73%), N (12.95%), O (7.4%), S (14.83%)
Atom Count23
PINo isoelectric point.
SmilesC(=C(C#N)C#N)c1ccc(cc1)OSC
InChI1S/C11H8N2OS/c1-15-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3
InChIKeyJJFUFTCLHXLTNU-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
Reference1676428
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 -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL294681
 
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