Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001702
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article47 compound
IUPAC Name(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide
FormulaC10H8N2O2S
Mass220.248
Exact Mass220.0306482
Composition C (54.53%), H (3.66%), N (12.72%), O (14.53%), S (14.56%)
Atom Count23
PI2.73
Smilesc1(ccc(c(c1)O)O)/C=C(C#N)/C(=S)N
InChI1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
InChIKeyZGHQGWOETPXKLY-XVNBXDOJSA-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 | 11462969 | 18321716 |
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 11373661
ChEMBL Link CHEMBL77030
 
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