Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001667
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article12 compound
IUPAC Name4-(2,2-dicyanoeth-1-en-1-yl)benzoic acid
FormulaC11H6N2O2
Mass198.1775
Exact Mass198.0429274
Composition C (66.67%), H (3.05%), N (14.14%), O (16.15%)
Atom Count21
PINo isoelectric point.
Smilesc1(ccc(cc1)C(=O)O)C=C(C#N)C#N
InChI1S/C11H6N2O2/c12-6-9(7-13)5-8-1-3-10(4-2-8)11(14)15/h1-5H,(H,14,15)
InChIKeyKWXWJXVSQZFADE-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328784
Drug Bank Link -
ChemSpider Link 4485946
ChEMBL Link CHEMBL78174
 
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