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

1. Huang P, Almeciga-Pinto I, Jarpe M, van Duzer JH, Mazitschek R, Yang M, Jones SS, Quayle SN. (2017)
Selective HDAC inhibition by ACY-241 enhances the activity of paclitaxel in solid tumor models.
Oncotarget, 8 (2): 2694-2707. [PMID:27926524]
2. Van DJH, Seyedi F, Liu G. (2016)
Crystalline forms of a histone deacetylase inhibitor.
Patent number: WO2016200919. Assignee: Acetylon Pharmaceuticals, Inc.. Priority date: 08/06/2015. Publication date: 15/12/2016.