1-naphthylpiperazine

Ligand id: 3

Name: 1-naphthylpiperazine

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 1
Topological polar surface area 15.27
Molecular weight 212.13
XLogP 3.02
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-HT2B receptor Hs Antagonist Antagonist 8.4 – 9.0 pKi - 6,11
pKi 8.4 – 9.0 [6,11]
5-HT2B receptor Rn Antagonist Antagonist 8.3 – 8.4 pKi - 6,10
pKi 8.3 – 8.4 [6,10]
5-HT1D receptor Hs Agonist Full agonist 8.1 – 8.2 pKi - 5,12
pKi 8.1 – 8.2 [5,12]
5-HT1A receptor Hs Agonist Full agonist 8.0 pKi - 5
pKi 8.0 [5]
5-HT1B receptor Hs Agonist Full agonist 7.7 – 7.9 pKi - 5,8,12
pKi 7.7 – 7.9 [5,8,12]
5-HT7 receptor Rn Agonist Full agonist 7.5 – 7.7 pKi - 9
pKi 7.5 – 7.7 [9]
5-HT1F receptor Hs Antagonist Antagonist 7.3 pKi - 1-2
pKi 7.3 [1-2]
5-HT7 receptor Hs Agonist Full agonist 7.1 pKi - 4
pKi 7.1 [4]
5-HT6 receptor Rn Agonist Full agonist 7.0 pKi - 7
pKi 7.0 [7]
5-ht1e receptor Hs Antagonist Antagonist 6.7 – 7.0 pKi - 2-3,8
pKi 6.7 – 7.0 [2-3,8]