Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001705
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article50 compound
IUPAC Name(3Z)-2-amino-3-[(3,4-dihydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
FormulaC13H8N4O2
Mass252.2282
Exact Mass252.0647255
Composition C (61.9%), H (3.2%), N (22.21%), O (12.69%)
Atom Count27
PI1.8
Smilesc1(ccc(c(c1)O)O)/C=C(C#N)/C(=C(C#N)C#N)N
InChI1S/C13H8N4O2/c14-5-9(13(17)10(6-15)7-16)3-8-1-2-11(18)12(19)4-8/h1-4,18-19H,17H2/b9-3+
InChIKeyQUSWOXFVFXXENN-YCRREMRBSA-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 5328806
Drug Bank Link -
ChemSpider Link 4485968
ChEMBL Link CHEMBL309334
 
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