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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT4 receptor Mm Antagonist Antagonist 7.1 pKi - 3
pKi 7.1 [3]
5-HT4 receptor Rn Antagonist Antagonist 6.8 pKi - 1
pKi 6.8 [1]
5-HT4 receptor Hs Antagonist Antagonist 6.3 – 7.1 pKi - 2,8
pKi 6.3 – 7.1 [2,8]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Glycine Receptor (All subtypes) N/A Subunit-specific Potentiation - - < 1x10-8 7
Conc range: < 1x10-8 M α1β, α2β , α1, no effect on α2 [7]
5-HT3A Hs 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 Hs Antagonist Antagonist 5.3 pKi -
pKi 5.3 (Ki 5.4x10-6 M) when co-expressed with the α2 subunit
glycine receptor α2 subunit Hs Antagonist Antagonist 4.9 pKi -
pKi 4.9 (Ki 1.3x10-5 M)
glycine receptor α1 subunit Hs Antagonist Antagonist 4.1 pKi -
pKi 4.1 (Ki 8.4x10-5 M)
Glycine Receptor (All subtypes) Hs Antagonist Antagonist 4.1 pIC50 - 5,9
pIC50 4.1 [5,9]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields