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 ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
M5 receptor Antagonist Antagonist 9.3 – 9.7 pKi - 1,6
pKi 9.3 – 9.7 [1,6]
M3 receptor 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 Antagonist Antagonist 8.7 – 9.5 pKi - 1,6-7,12
pKi 8.7 – 9.5 [1,6-7,12]
M1 receptor Antagonist Antagonist 8.5 – 9.6 pKi - 3,5-7,12-13
pKi 8.5 – 9.6 [3,5-7,12-13]
M2 receptor 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 human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Glycine Receptor (All subtypes) Antagonist Antagonist 3.6 pIC50 - 10,14
pIC50 3.6 [10,14]
Selectivity at unknown species ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Glycine Receptor (All subtypes) Subunit-specific Inhibition - - < 1x10-6 10
Conc range: < 1x10-6 M α2 > α1 [10]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
M4 receptor Antagonist Antagonist 9.7 pKi - 8
pKi 9.7 [8]
M5 receptor Antagonist Antagonist 9.4 pKi - 8
pKi 9.4 [8]
M1 receptor Antagonist Antagonist 9.0 – 9.7 pKi - 1-2,8
pKi 9.0 – 9.7 [1-2,8]
M2 receptor Antagonist Antagonist 9.0 – 9.1 pKi - 8-9
pKi 9.0 – 9.1 [8-9]
M3 receptor Antagonist Antagonist 8.7 – 9.3 pKi - 2,8
pKi 8.7 – 9.3 [2,8]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
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