Ligand id: 7427

Name: vilazodone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 102.29
Molecular weight 441.22
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dawson LA, Watson JM. (2009)
Vilazodone: a 5-HT1A receptor agonist/serotonin transporter inhibitor for the treatment of affective disorders.
CNS Neurosci Ther, 15 (2): 107-17. [PMID:19499624]
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. Hughes ZA, Starr KR, Langmead CJ, Hill M, Bartoszyk GD, Hagan JJ, Middlemiss DN, Dawson LA. (2005)
Neurochemical evaluation of the novel 5-HT1A receptor partial agonist/serotonin reuptake inhibitor, vilazodone.
Eur. J. Pharmacol., 510 (1-2): 49-57. [PMID:15740724]
4. Zhu XY, Etukala JR, Eyunni SV, Setola V, Roth BL, Ablordeppey SY. (2012)
Benzothiazoles as probes for the 5HT1A receptor and the serotonin transporter (SERT): a search for new dual-acting agents as potential antidepressants.
Eur J Med Chem, 53: 124-32. [PMID:22520153]