CHEBI:85990 - panobinostat

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ChEBI Name panobinostat
Definition A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H23N3O2
Net Charge 0
Average Mass 349.42620
Monoisotopic Mass 349.17903
InChI InChI=1S/C21H23N3O2/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/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC (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
Application(s): 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.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing panobinostat (CHEBI:85990) has role angiogenesis modulating agent (CHEBI:50926)
panobinostat (CHEBI:85990) has role antineoplastic agent (CHEBI:35610)
panobinostat (CHEBI:85990) has role EC (histone deacetylase) inhibitor (CHEBI:61115)
panobinostat (CHEBI:85990) is a cinnamamides (CHEBI:23247)
panobinostat (CHEBI:85990) is a hydroxamic acid (CHEBI:24650)
panobinostat (CHEBI:85990) is a methylindole (CHEBI:38460)
panobinostat (CHEBI:85990) is a secondary amino compound (CHEBI:50995)
panobinostat (CHEBI:85990) is conjugate base of panobinostat(1+) (CHEBI:85992)
Incoming panobinostat(1+) (CHEBI:85992) is conjugate acid of panobinostat (CHEBI:85990)
INN Source
panobinostat KEGG DRUG
Synonyms Sources
LBH 589 ChemIDplus
LBH589 ChemIDplus
Manual Xrefs Databases
4682 DrugCentral
Panobinostat Wikipedia
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Registry Numbers Types Sources
12257756 Reaxys Registry Number Reaxys
404950-80-7 CAS Registry Number KEGG DRUG
404950-80-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017