methiothepin

Ligand id: 89

Name: methiothepin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 57.08
Molecular weight 356.14
XLogP 4.3
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
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Rn Antagonist Antagonist 9.0 – 9.4 pKi - 28
pKi 9.0 – 9.4 [28]
5-HT2B receptor Hs Antagonist Antagonist 8.7 – 9.2 pKi - 15,30
pKi 8.7 – 9.2 [15,30]
5-HT7 receptor Hs Antagonist Antagonist 8.4 – 9.4 pKi - 4,14,17,29
pKi 8.4 – 9.4 [4,14,17,29]
5-HT6 receptor Hs Antagonist Antagonist 8.2 – 9.4 pKi - 5,8,16
pKi 8.2 – 9.4 [5,8,16]
5-HT5A receptor Hs Antagonist Antagonist 8.5 – 8.9 pKi - 11,27
pKi 8.5 – 8.9 [11,27]
5-HT2A receptor Hs Antagonist Antagonist 8.5 pKi - 15
pKi 8.5 [15]
5-HT6 receptor Rn Antagonist Antagonist 7.5 – 9.4 pKi - 6-8,21
pKi 7.5 – 9.4 [6-8,21]
5-HT2C receptor Hs Antagonist Inverse agonist 8.4 pKi - 15
pKi 8.4 [15]
5-HT7 receptor Mm Antagonist Antagonist 8.2 pKi - 26
pKi 8.2 [26]
5-HT1A receptor Hs Antagonist Antagonist 7.8 – 8.1 pKi - 23-24
pKi 7.8 – 8.1 [23-24]
5-HT1B receptor Hs Antagonist Inverse agonist 7.1 – 8.5 pKi - 12,22,25,31
pKi 7.1 – 8.5 [12,22,25,31]
5-HT1D receptor Hs Antagonist Inverse agonist 7.3 – 8.2 pKi - 9,13,18,31
pKi 7.3 – 8.2 [9,13,18,31]
5-HT5A receptor Rn Antagonist Antagonist 7.5 pKi - 10
pKi 7.5 [10]
5-HT5A receptor Mm Antagonist Antagonist 7.0 pKi - 11,19
pKi 7.0 [11,19]
5-ht1e receptor Hs Antagonist Antagonist 6.7 – 7.0 pKi - 2-3,20,25
pKi 6.7 – 7.0 [2-3,20,25]
5-HT1F receptor Hs Antagonist Antagonist 6.2 pKi - 1-2
pKi 6.2 [1-2]