Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004804
Inhibitor ClassIndole
Molecule Name in Refrence Article10
IUPAC Name(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
FormulaC12H9N3O
Mass211.2194
Exact Mass211.0745619
Composition C (68.24%), H (4.29%), N (19.89%), O (7.57%)
Atom Count25
PI4.68
Smilesc1cccc2c1c(c[nH]2)/C=C(/C(=O)N)C#N
InChI1S/C12H9N3O/c13-6-8(12(14)16)5-9-7-15-11-4-2-1-3-10(9)11/h1-5,7,15H,(H2,14,16)/b8-5+
InChIKeyNLJUQIIPXVMEAA-VMPITWQZSA-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 1267526
ChEMBL Link CHEMBL66390
 
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