citarinostat

Ligand id: 9426

Name: citarinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 107.45
Molecular weight 467.17
XLogP 5.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
International Nonproprietary Names
INN number INN
10512 citarinostat
Synonyms
ACY-241 | Compound (I) [WO2016200919] [2] | HDAC-IN-2
Database Links
BindingDB Ligand 110036
CAS Registry No. 1316215-12-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL3693786
GtoPdb PubChem SID 328083526
PubChem CID 53340426
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Comments
Citarinostat (ACY-241) is a next-generation selective HDAC6 inhibitor, under investigation for potential antineoplastic activity [1].