Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001674
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article17 compound
IUPAC Name2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile
FormulaC11H7N3O4
Mass245.191
Exact Mass245.0436557
Composition C (53.88%), H (2.88%), N (17.14%), O (26.1%)
Atom Count25
PI0.11
Smilesc1(cc(c(c(c1)OC)O)N(=O)=O)C=C(C#N)C#N
InChI1S/C11H7N3O4/c1-18-10-4-7(2-8(5-12)6-13)3-9(11(10)15)14(16)17/h2-4,15H,1H3
InChIKeyCWOXUSIEQFFVBX-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 58857
Drug Bank Link -
ChemSpider Link 53051
ChEMBL Link CHEMBL307179
 
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