quisinostat

Ligand id: 7503

Name: quisinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 95.31
Molecular weight 394.21
XLogP 1.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
International Nonproprietary Names
INN number INN
9452 quisinostat
Synonyms
JNJ-26481585
Database Links
CAS Registry No. 875320-29-9
ChEMBL Ligand CHEMBL2105763
PubChem CID 11538455
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Wikipedia Quisinostat
Comments
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].