Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001666
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article11 compound
IUPAC Name(2Z)-3-[4-(2,2-dicyanoeth-1-en-1-yl)phenyl]prop-2-enoic acid
FormulaC13H8N2O2
Mass224.2148
Exact Mass224.0585775
Composition C (69.64%), H (3.6%), N (12.49%), O (14.27%)
Atom Count25
PINo isoelectric point.
Smilesc1(ccc(cc1)/C=CC(=O)O)C=C(C#N)C#N
InChI1S/C13H8N2O2/c14-8-12(9-15)7-11-3-1-10(2-4-11)5-6-13(16)17/h1-7H,(H,16,17)/b6-5-
InChIKeyFYUKHNUSVGJQFX-WAYWQWQTSA-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 -
Drug Bank Link -
ChemSpider Link 4485945
ChEMBL Link CHEMBL77778
 
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