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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units 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 Affinity Units 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
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]