Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002790
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article6 compound
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylidene]propanedinitrile
FormulaC11H7FN2O
Mass202.1845
Exact Mass202.0542411
Composition C (65.35%), H (3.49%), F (9.4%), N (13.86%), O (7.91%)
Atom Count22
PINo isoelectric point.
SmilesC(=C(C#N)C#N)c1cc(c(cc1)OC)F
InChI1S/C11H7FN2O/c1-15-11-3-2-8(5-10(11)12)4-9(6-13)7-14/h2-5H,1H3
InChIKeyKCRDGGROWVQVJO-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 5328747
Drug Bank Link -
ChemSpider Link 4485909
ChEMBL Link CHEMBL57170
 
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