Ligand id: 8427

Name: relenopride

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 119.91
Molecular weight 492.19
XLogP 3.22
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-HT4 receptor Hs Agonist Partial agonist 8.3 pKi - 3
pKi 8.3 (Ki 4.96x10-9 M) [3]
5-HT2B receptor Hs Agonist Agonist 7.5 pKi - 3
pKi 7.5 (Ki 3.1x10-8 M) [3]
5-HT2A receptor Hs Agonist Agonist 6.2 pKi - 3
pKi 6.2 (Ki 6x10-7 M) [3]