Ligand id: 7546

Name: bitopertin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 88.19
Molecular weight 543.11
XLogP 4.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bugarski-Kirola D, Wang A, Abi-Saab D, Bl├Ąttler T. (2014)
A phase II/III trial of bitopertin monotherapy compared with placebo in patients with an acute exacerbation of schizophrenia - results from the CandleLyte study.
Eur Neuropsychopharmacol, 24 (7): 1024-36. [PMID:24735806]
2. Pinard E, Alanine A, Alberati D, Bender M, Borroni E, Bourdeaux P, Brom V, Burner S, Fischer H, Hainzl D et al.. (2010)
Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia.
J. Med. Chem., 53 (12): 4603-14. [PMID:20491477]
3. Umbricht D, Alberati D, Martin-Facklam M, Borroni E, Youssef EA, Ostland M, Wallace TL, Knoflach F, Dorflinger E, Wettstein JG et al.. (2014)
Effect of Bitopertin, a Glycine Reuptake Inhibitor, on Negative Symptoms of Schizophrenia: A Randomized, Double-Blind, Proof-of-Concept Study.
JAMA Psychiatry, 71 (6): 637-46. [PMID:24696094]