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CHEBI:70726 - hesperadin

ChEBI IDCHEBI:70726
ChEBI Namehesperadin
Stars
DefinitionAn oxindole that is indolin-2-one which is substituted at position 5 by an (ethylsulfonyl)nitrilo group and at position 2 by a methylidene group, which is itself substituted by a phenyl group and a [4-(piperidin-1-ylmethyl)phenyl]amino group. An Aurora B kinase inhibitor, it is used to inhibit chromosome alignment and segregation.
Last Modified26 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H32N4O3S
Net Charge0
Average Mass516.667
Monoisotopic Mass516.21951
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-
InChIKeyGLDSKRNGVVYJAB-DQSJHHFOSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
hesperadin (CHEBI:70726) has role Aurora kinase inhibitor (CHEBI:70770)
hesperadin (CHEBI:70726) is a enamine (CHEBI:47989)
hesperadin (CHEBI:70726) is a oxindoles (CHEBI:38459)
hesperadin (CHEBI:70726) is a piperidines (CHEBI:26151)
hesperadin (CHEBI:70726) is a sulfonamide (CHEBI:35358)
hesperadin (CHEBI:70726) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide
Synonym  Source
hesperadineChEBI
Manual XrefsDatabases
HesperadinWikipedia
Registry NumbersSources
Reaxys:14118003Reaxys
CAS:422513-13-1Wikipedia
Citations