Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001676
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article21 compound
IUPAC Name2-[(4-formylphenyl)methylidene]propanedinitrile
FormulaC11H6N2O
Mass182.1781
Exact Mass182.0480128
Composition C (72.52%), H (3.32%), N (15.38%), O (8.78%)
Atom Count20
PINo isoelectric point.
Smilesc1(ccc(cc1)C=O)C=C(C#N)C#N
InChI1S/C11H6N2O/c12-6-11(7-13)5-9-1-3-10(8-14)4-2-9/h1-5,8H
InChIKeyCLUMTHHORUVBIQ-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
Reference2552117
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 5328787
Drug Bank Link -
ChemSpider Link 4485949
ChEMBL Link CHEMBL311119
 
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