Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002789
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article5 compound
IUPAC Name2-{[4-(methylsulfanyl)phenyl]methylidene}propanedinitrile
FormulaC11H8N2S
Mass200.26
Exact Mass200.040819
Composition C (65.97%), H (4.03%), N (13.99%), S (16.01%)
Atom Count22
PINo isoelectric point.
SmilesC(=C(C#N)C#N)c1ccc(cc1)SC
InChI1S/C11H8N2S/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3
InChIKeyFHUZHCIAFDTIIK-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 710163
Drug Bank Link -
ChemSpider Link 619309
ChEMBL Link CHEMBL57471
 
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