EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233050 - binucleine 2

ChEBI IDCHEBI:233050
ChEBI Namebinucleine 2
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole substituted by 3-chloro-4-fluorophenyl, cyano, and N,N-dimethylimidoformamidyl groups at positions 1, 4, and 5, respectively. It is a highly isoform-specific inhibitor of Drosophila Aurora B kinase.
Last Modified8 January 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC13H11ClFN5
Net Charge0
Average Mass291.717
Monoisotopic Mass291.06870
SMILESCN(C)/C=N/c1c(C#N)cnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFN5/c1-19(2)8-17-13-9(6-16)7-18-20(13)10-3-4-12(15)11(14)5-10/h3-5,7-8H,1-2H3/b17-8+
InChIKeyMNCYLHJHZOUDLB-CAOOACKPSA-N
Roles Classification
Biological Role:
Aurora kinase inhibitor  Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation).
ChEBI Ontology
Outgoing Relation(s)
binucleine 2 (CHEBI:233050) has role Aurora kinase inhibitor (CHEBI:70770)
binucleine 2 (CHEBI:233050) is a formamidines (CHEBI:51917)
binucleine 2 (CHEBI:233050) is a monochlorobenzenes (CHEBI:83403)
binucleine 2 (CHEBI:233050) is a monofluorobenzenes (CHEBI:83575)
binucleine 2 (CHEBI:233050) is a nitrile (CHEBI:18379)
binucleine 2 (CHEBI:233050) is a pyrazoles (CHEBI:26410)
IUPAC Name 
N'-[1-(3-chloro-4-fluorophenyl)-4-cyano-1H-pyrazol-5-yl]-N,N-dimethylimidoformamide
Registry NumbersSources
CAS:220088-42-6SUBMITTER
Citations