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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1A receptor Agonist Partial agonist 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
5-HT1B receptor Agonist Partial agonist 7.5 pKi - 1
pKi 7.5 (Ki 3.3x10-8 M) [1]
5-HT2A receptor Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 1.8x10-7 M) [1]
5-HT2C receptor Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 1.8x10-7 M) [1]
5-HT5A receptor Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 2.2x10-7 M) [1]
5-HT6 receptor Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 (Ki 3.3x10-7 M) [1]
5-HT7 receptor Antagonist Antagonist 6.3 pKi - 1
pKi 6.3 (Ki 4.5x10-7 M) [1]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT3A Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 (Ki 3.7x10-9 M) [1]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
SERT Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1D receptor Antagonist Antagonist 5.4 pIC50 - 2
pIC50 5.4 (IC50 4x10-6 M) [2]