Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001703
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article48 compound
IUPAC Name(3Z)-2-amino-3-[(4-hydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
FormulaC13H8N4O
Mass236.2288
Exact Mass236.0698109
Composition C (66.1%), H (3.41%), N (23.72%), O (6.77%)
Atom Count26
PI1.75
Smilesc1(ccc(cc1)O)/C=C(C#N)/C(=C(C#N)C#N)N
InChI1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+
InChIKeyDXVJRTIPBNBLLB-BJMVGYQFSA-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 5328804
Drug Bank Link -
ChemSpider Link 4485966
ChEMBL Link CHEMBL76589
 
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