Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001672
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article18 compound
IUPAC Name2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
FormulaC11H7BrN2O2
Mass279.089
Exact Mass277.9690901
Composition C (47.34%), H (2.53%), Br (28.63%), N (10.04%), O (11.47%)
Atom Count23
PI0.92
Smilesc1(cc(c(c(c1)OC)O)Br)C=C(C#N)C#N
InChI1S/C11H7BrN2O2/c1-16-10-4-7(2-8(5-13)6-14)3-9(12)11(10)15/h2-4,15H,1H3
InChIKeyRMTVRMJDCJSEMW-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 57591
Drug Bank Link -
ChemSpider Link 51917
ChEMBL Link CHEMBL77298
 
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