Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004794
Inhibitor ClassIndole
Molecule Name in Refrence Article11
IUPAC Name3-amino-5-[(1Z)-1-cyano-2-(1H-indol-3-yl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
FormulaC15H10N6
Mass274.2801
Exact Mass274.0966944
Composition C (65.68%), H (3.67%), N (30.64%)
Atom Count31
PI7.96
Smilesc1cccc2c1c(c[nH]2)/C=C(/c1[nH]nc(c1C#N)N)C#N
InChI1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)
/b9-5+
InChIKeyOJMXHLJIMZMFGX-WEVVVXLNSA-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
Reference8667360
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 20129577
ChEMBL Link CHEMBL65827
 
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