tropisetron

Ligand id: 260

Name: tropisetron

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.33
Molecular weight 284.15
XLogP 3.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
5-HT4 receptor Antagonist Antagonist 6.3 – 7.1 pKi - 2,8
pKi 6.3 – 7.1 [2,8]
Selectivity at human ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
5-HT3A Antagonist Antagonist 8.5 – 8.8 pKi - 4,6
pKi 8.5 – 8.8 (Ki 3x10-9 – 1.5x10-9 M) [4,6]
glycine receptor β subunit Antagonist Antagonist 5.3 pKi -
pKi 5.3 (Ki 5.4x10-6 M) when co-expressed with the α2 subunit
glycine receptor α2 subunit Antagonist Antagonist 4.9 pKi -
pKi 4.9 (Ki 1.3x10-5 M)
glycine receptor α1 subunit Antagonist Antagonist 4.1 pKi -
pKi 4.1 (Ki 8.4x10-5 M)
Glycine Receptor (All subtypes) Antagonist Antagonist 4.1 pIC50 - 5,9
pIC50 4.1 [5,9]
Selectivity at mouse GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
5-HT4 receptor Antagonist Antagonist 7.1 pKi - 3
pKi 7.1 [3]
Selectivity at unknown species ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Glycine Receptor (All subtypes) Subunit-specific Potentiation - - < 1x10-8 7
Conc range: < 1x10-8 M α1β, α2β , α1, no effect on α2 [7]
Selectivity at rat GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
5-HT4 receptor Antagonist Antagonist 6.8 pKi - 1
pKi 6.8 [1]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields