deutetrabenazine

Ligand id: 8707

Name: deutetrabenazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 38.77
Molecular weight 317.2
XLogP 2.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Claassen DO, Carroll B, De Boer LM, Wu E, Ayyagari R, Gandhi S, Stamler D. (2017)
Indirect tolerability comparison of Deutetrabenazine and Tetrabenazine for Huntington disease.
J Clin Mov Disord4: 3. [PMID:28265459]
2. Gant TG. (2014)
Using deuterium in drug discovery: leaving the label in the drug.
J. Med. Chem.57 (9): 3595-611. [PMID:24294889]
3. Geschwind MD, Paras N. (2016)
Deutetrabenazine for Treatment of Chorea in Huntington Disease.
JAMA316 (1): 33-5. [PMID:27380339]
4. Huntington Study Group. (2006)
Tetrabenazine as antichorea therapy in Huntington disease: a randomized controlled trial.
Neurology66 (3): 366-72. [PMID:16476934]
5. Huntington Study Group, Frank S, Testa CM, Stamler D, Kayson E, Davis C, Edmondson MC, Kinel S, Leavitt B, Oakes D et al.. (2016)
Effect of Deutetrabenazine on Chorea Among Patients With Huntington Disease: A Randomized Clinical Trial.
JAMA316 (1): 40-50. [PMID:27380342]