Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001707
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article52 compound
IUPAC Name(3Z)-2-amino-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
FormulaC14H10N4O3
Mass282.2542
Exact Mass282.0752902
Composition C (59.57%), H (3.57%), N (19.85%), O (17.01%)
Atom Count31
PI2.06
Smilesc1(cc(c(c(c1)O)O)OC)/C=C(C#N)/C(=C(C#N)C#N)N
InChI1S/C14H10N4O3/c1-21-12-4-8(3-11(19)14(12)20)2-9(5-15)13(18)10(6-16)7-17/h2-4,19-20H,18H2,1H3/b9-2+
InChIKeyCFTKDBCVQAYOLY-XNWCZRBMSA-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 5328808
Drug Bank Link -
ChemSpider Link 4485970
ChEMBL Link CHEMBL80745
 
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