quisinostat   Click here for help

GtoPdb Ligand ID: 7503

Synonyms: JNJ-26481585
PDB Ligand Antimalarial Ligand
Compound class: Synthetic organic
Comment: Quisinostat is an HDAC inhibitor. The compound has highest potency for HDAC1 and modest potency with HDACs 2, 4, 10, and 11. Quisinostat exhibits >30-fold selectivity against HDACs 3, 5, 8, and 9, with lowest potency for HDACs 6 and 7 [1].

The compound also has antimalarial activity [2]. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 95.31
Molecular weight 394.21
XLogP 2.23
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C
Isomeric SMILES ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C
InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9452 quisinostat
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 875320-29-9
ChEMBL Ligand CHEMBL2105763
GtoPdb PubChem SID 187051805
PubChem CID 11538455
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Wikipedia Quisinostat