Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001697
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article42 compound
IUPAC Name2-[hydroxy(4-methoxyphenyl)methylidene]propanedinitrile
FormulaC11H8N2O2
Mass200.1934
Exact Mass200.0585775
Composition C (66%), H (4.03%), N (13.99%), O (15.98%)
Atom Count23
PI0.94
Smilesc1(ccc(cc1)OC)C(=C(C#N)C#N)O
InChI1S/C11H8N2O2/c1-15-10-4-2-8(3-5-10)11(14)9(6-12)7-13/h2-5,14H,1H3
InChIKeyQQXSKJIGOYTWAF-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 5328799
Drug Bank Link -
ChemSpider Link 4485961
ChEMBL Link CHEMBL311564
 
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