vortioxetine

Ligand id: 7351

Name: vortioxetine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 40.57
Molecular weight 298.15
XLogP 4.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bang-Andersen B, Ruhland T, Jørgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, Mørk A et al.. (2011)
Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder.
J. Med. Chem.54 (9): 3206-21. [PMID:21486038]
2. Heinrich T, Böttcher H, Gericke R, Bartoszyk GD, Anzali S, Seyfried CA, Greiner HE, Van Amsterdam C. (2004)
Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists and serotonin reuptake inhibitors.
J. Med. Chem.47 (19): 4684-92. [PMID:15341484]
3. Talmon M, Rossi S, Pastore A, Cattaneo CI, Brunelleschi S, Fresu LG. (2017)
Vortioxetine exerts antiinflammatory and immunomodulatory effects on human monocytes/macrophages.
Br. J. Pharmacol.,  [Epub ahead of print]. [PMID:29057467]