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CHEBI:78766 - LLP-3

ChEBI IDCHEBI:78766
ChEBI NameLLP-3
Stars
DefinitionA pyridone that is pyridin-2(1H)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an inhibitor for Survivin-Ran protein complex.
Last Modified23 October 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC32H23ClN2O4
Net Charge0
Average Mass534.999
Monoisotopic Mass534.13463
SMILESN#Cc1c(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(-c2cc(Cl)ccc2O)nc1=O
InChIInChI=1S/C32H23ClN2O4/c33-24-11-12-31(36)28(15-24)30-17-27(29(18-34)32(37)35-30)23-13-25(38-19-21-7-3-1-4-8-21)16-26(14-23)39-20-22-9-5-2-6-10-22/h1-17,36H,19-20H2,(H,35,37)
InChIKeyNZRBRJQYGLEINZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
inhibitor  A substance that diminishes the rate of a chemical reaction.
antimitotic  Any compound that inhibits cell division (mitosis).
survivin dimerisation modulator  Any compound that affects the dimerisation of the protein survivin.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
LLP-3 (CHEBI:78766) has role antimitotic (CHEBI:64911)
LLP-3 (CHEBI:78766) has role antineoplastic agent (CHEBI:35610)
LLP-3 (CHEBI:78766) has role inhibitor (CHEBI:35222)
LLP-3 (CHEBI:78766) has role survivin dimerisation modulator (CHEBI:78926)
LLP-3 (CHEBI:78766) is a aromatic ether (CHEBI:35618)
LLP-3 (CHEBI:78766) is a benzyl ether (CHEBI:59859)
LLP-3 (CHEBI:78766) is a hydroxynitrile (CHEBI:24730)
LLP-3 (CHEBI:78766) is a monochlorobenzenes (CHEBI:83403)
LLP-3 (CHEBI:78766) is a phenols (CHEBI:33853)
LLP-3 (CHEBI:78766) is a pyridone (CHEBI:38183)
IUPAC Name 
4-[3,5-bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Synonym  Source
LLP3ChEBI
Registry NumbersSources
Reaxys:23916493Reaxys
Citations