vortioxetine

Ligand id: 7351

Name: vortioxetine

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Structure and Physico-chemical Properties

2D Structure
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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 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1A receptor Hs Agonist Partial agonist 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
5-HT1B receptor Hs Agonist Partial agonist 7.5 pKi - 1
pKi 7.5 (Ki 3.3x10-8 M) [1]
5-HT2A receptor Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 1.8x10-7 M) [1]
5-HT5A receptor Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 2.2x10-7 M) [1]
5-HT6 receptor Hs Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 (Ki 3.3x10-7 M) [1]
5-HT7 receptor Hs Antagonist Antagonist 6.3 pKi - 1
pKi 6.3 (Ki 4.5x10-7 M) [1]
5-HT1D receptor Rn Antagonist Antagonist 5.4 pIC50 - 2
pIC50 5.4 (IC50 4x10-6 M) [2]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT3A Hs Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 (Ki 3.7x10-9 M) [1]
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]