EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85991 - panobinostat lactate

ChEBI IDCHEBI:85991
ChEBI Namepanobinostat lactate
Stars
DefinitionA lactate salt having panobinostat(1+) as the counterion. A histone deacetylase inhibitor used in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.
Last Modified10 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H23N3O2.C3H6O3
Net Charge0
Average Mass439.512
Monoisotopic Mass439.21072
SMILESCC(O)C(=O)O.Cc1nc2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+;
InChIKeyXVDWNSFFSMWXJJ-ASTDGNLGSA-N
Wikipedia
Roles Classification
Biological Role:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis modulating agent  An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
ChEBI Ontology
Outgoing Relation(s)
panobinostat lactate (CHEBI:85991) has part panobinostat(1+) (CHEBI:85992)
panobinostat lactate (CHEBI:85991) has role angiogenesis modulating agent (CHEBI:50926)
panobinostat lactate (CHEBI:85991) has role antineoplastic agent (CHEBI:35610)
panobinostat lactate (CHEBI:85991) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
panobinostat lactate (CHEBI:85991) is a lactate salt (CHEBI:24997)
panobinostat lactate (CHEBI:85991) is a organoammonium salt (CHEBI:46850)
IUPAC Names 
2-hydroxypropanoic acid—(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide (1/1)
N-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoate
Brand Name  Source
FarydakChEBI
Manual XrefsDatabases
D10019KEGG DRUG
PanobinostatWikipedia
Registry NumbersSources
Reaxys:15615390Reaxys
CAS:960055-56-5ChemIDplus
Citations