ACY-241

Ligand id: 9426

Name: ACY-241

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
Synonyms
citarinostat (proposed INN)
HDAC-IN-2
Database Links
BindingDB Ligand 110036
CAS Registry No. 1316215-12-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL3693786
PubChem CID 53340426
Search Google for chemical match using the InChIKey VLIUIBXPEDFJRF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VLIUIBXPEDFJRF
Comments
ACY-241 is a selective HDAC6 inhibitor, under investigation for potential antineoplastic activity [1].