panobinostat   

GtoPdb Ligand ID: 7489

Synonyms: Farydak® | LBH-589 | LBH589
panobinostat is an approved drug (EMA & FDA (2015))
Compound class: Synthetic organic
Comment: Panobinostat is a non-selective histone deacetylase (HDAC) inhibitor [1-2].
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: panobinostat

2D Structure
Click here for structure editor
Physico-chemical Properties
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
SMILES / InChI / InChIKey
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+
InChI Key FPOHNWQLNRZRFC-ZHACJKMWSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2015))
IUPAC Name
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
International Nonproprietary Names
INN number INN
8805 panobinostat
Synonyms
Farydak® | LBH-589 | LBH589
Database Links
CAS Registry No. 404950-80-7
ChEMBL Ligand CHEMBL483254
DrugCentral Ligand 4682
GtoPdb PubChem SID 187051792
PubChem CID 6918837
RCSB PDB Ligand LBH
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
Search UniChem for chemical match using the InChIKey FPOHNWQLNRZRFC-ZHACJKMWSA-N
Search UniChem for chemicals with the same backbone FPOHNWQLNRZRFC
Wikipedia Panobinostat