atropine

Ligand id: 320

Name: atropine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 289.17
XLogP 3.54
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
M4 receptor Rn Antagonist Antagonist 9.7 pKi - 8
pKi 9.7 [8]
M5 receptor Hs Antagonist Antagonist 9.3 – 9.7 pKi - 1,6
pKi 9.3 – 9.7 [1,6]
M5 receptor Rn Antagonist Antagonist 9.4 pKi - 8
pKi 9.4 [8]
M1 receptor Rn Antagonist Antagonist 9.0 – 9.7 pKi - 1-2,8
pKi 9.0 – 9.7 [1-2,8]
M3 receptor Hs Antagonist Antagonist 8.9 – 9.8 pKi - 1,4,6-7,12-13
pKi 8.9 – 9.8 [1,4,6-7,12-13]
M4 receptor Hs Antagonist Antagonist 8.7 – 9.5 pKi - 1,6-7,12
pKi 8.7 – 9.5 [1,6-7,12]
M1 receptor Hs Antagonist Antagonist 8.5 – 9.6 pKi - 3,5-7,12-13
pKi 8.5 – 9.6 [3,5-7,12-13]
M2 receptor Rn Antagonist Antagonist 9.0 – 9.1 pKi - 8-9
pKi 9.0 – 9.1 [8-9]
M3 receptor Rn Antagonist Antagonist 8.7 – 9.3 pKi - 2,8
pKi 8.7 – 9.3 [2,8]
M2 receptor Hs Antagonist Antagonist 7.8 – 9.2 pKi - 1-2,6-7,9,11-12
pKi 7.8 – 9.2 [1-2,6-7,9,11-12]
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 Inhibition - - < 1x10-6 10
Conc range: < 1x10-6 M α2 > α1 [10]
Glycine Receptor (All subtypes) Hs Antagonist Antagonist 3.6 pIC50 - 10,14
pIC50 3.6 [10,14]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields