Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001662
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article7 compound
IUPAC Name2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
FormulaC11H5N3O4
Mass243.1751
Exact Mass243.0280057
Composition C (54.33%), H (2.07%), N (17.28%), O (26.32%)
Atom Count23
PINo isoelectric point.
Smilesc1(c(cc2c(c1)OCO2)N(=O)=O)C=C(C#N)C#N
InChI1S/C11H5N3O4/c12-4-7(5-13)1-8-2-10-11(18-6-17-10)3-9(8)14(15)16/h1-3H,6H2
InChIKeySRYYXVFONUYVLR-UHFFFAOYSA-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 707914
Drug Bank Link -
ChemSpider Link 617296
ChEMBL Link CHEMBL76082
 
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