metoclopramide

Ligand id: 241

Name: metoclopramide

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 67.59
Molecular weight 299.14
XLogP 1.14
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
D2 receptor Mm Antagonist Antagonist 7.5 pKi - 4
pKi 7.5 (Ki 2.88x10-8 M) [4]
5-HT4 receptor Mm Agonist Full agonist 6.0 pKi - 2
pKi 6.0 [2]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT3A Hs Antagonist Antagonist 6.0 – 6.4 pKi - 1,3
pKi 6.0 – 6.4 (Ki 1.03x10-6 – 3.54x10-7 M) [1,3]
5-HT3AB Hs Antagonist Antagonist 5.7 pKi - 1
pKi 5.7 [1]