panobinostat   Click here for help

GtoPdb Ligand ID: 7489

Synonyms: Farydak® | LBH-589 | LBH589
Approved drug PDB Ligand Antimalarial Ligand
panobinostat is an approved drug (EMA & FDA (2015))
Compound class: Synthetic organic
Comment: Panobinostat is a non-selective histone deacetylase (HDAC) inhibitor [3-4]. The compound also has antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: panobinostat

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 77.15
Molecular weight 349.18
XLogP 2.98
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES ONC(=O)C=Cc1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2
Isomeric SMILES ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2
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+
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Approved drug? Yes (EMA & FDA (2015))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8805 panobinostat
Synonyms Click here for help
Farydak® | LBH-589 | LBH589
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9679810
Reactome Reaction Reactome logo R-HSA-9679787
Other databases
CAS Registry No. 404950-80-7
ChEMBL Ligand CHEMBL483254
DrugCentral Ligand 4682
GtoPdb PubChem SID 187051792
PubChem CID 6918837
Search Google for chemical match using the InChIKey FPOHNWQLNRZRFC-ZHACJKMWSA-N
Search Google for chemicals with the same backbone FPOHNWQLNRZRFC
Search PubMed clinical trials panobinostat
Search PubMed titles panobinostat
Search PubMed titles/abstracts panobinostat
UniChem Compound Search for chemical match using the InChIKey FPOHNWQLNRZRFC-ZHACJKMWSA-N
UniChem Connectivity Search for chemical match using the InChIKey FPOHNWQLNRZRFC-ZHACJKMWSA-N
Wikipedia Panobinostat