vilazodone

Ligand id: 7427

Name: vilazodone

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 102.29
Molecular weight 441.22
XLogP 3.35
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 9.7 pKi - 1
pKi 9.7 (Ki 2x10-10 M) [1]
Description: Binding of vilazodone to human 5-HT1A receptors against [3H]8-OH-DPAT (DPAT)
5-HT1A receptor Hs Agonist Partial agonist 9.5 pIC50 - 2
pIC50 9.5 (IC50 3x10-10 M) [2]
D3 receptor Hs Agonist Agonist 7.2 pIC50 - 2
pIC50 7.2 (IC50 7.1x10-8 M) [2]
5-HT4 receptor Hs Agonist Agonist 6.6 pIC50 - 2
pIC50 6.6 (IC50 2.52x10-7 M) [2]
H1 receptor Hs Agonist Agonist 6.5 pIC50 - 2
pIC50 6.5 (IC50 3.17x10-7 M) [2]
D2 receptor Hs Agonist Agonist 6.2 pIC50 - 2
pIC50 6.2 (IC50 6.66x10-7 M) [2]
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 8.8 – 9.3 pIC50 - 1-2
pIC50 8.8 – 9.3 (IC50 1.58x10-9 – 5x10-10 M) [1-2]