tiospirone

Ligand id: 101

Name: tiospirone

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 84.99
Molecular weight 440.22
XLogP 4.58
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-HT7 receptor Rn Antagonist Antagonist 9.2 pKi - 4
pKi 9.2 [4]
5-HT1A receptor Hs Antagonist Antagonist 8.3 pKi - 3
pKi 8.3 [3]
5-HT2C receptor Hs Antagonist Inverse agonist 8.3 pKi - 1
pKi 8.3 [1]
5-HT6 receptor Rn Antagonist Antagonist 7.1 pKi - 4
pKi 7.1 [4]
5-HT6 receptor Hs Antagonist Antagonist 6.0 pKi - 2
pKi 6.0 [2]