methacholine

Ligand id: 7438

Name: methacholine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 160.13
XLogP 0.36
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

Bioactivity Comments
We have been able to find publicly available bioactivity data at human muscarinic receptors to substantiate this drug's MMOA. Therefore, we have not tagged a primary drug target.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
M2 receptor Rn Agonist Agonist 7.2 pKi - 1
pKi 7.2 (Ki 5.9x10-8 M) [1]
M4 receptor Rn Agonist Agonist 5.8 pKi - 1
pKi 5.8 (Ki 1.6x10-6 M) [1]
M3 receptor Rn Agonist Agonist 6.9 pEC50 - 1
pEC50 6.9 (EC50 1.2x10-7 M) [1]
pEC50 6.9 (EC50 1.2x10-7 M) [1]
M1 receptor Rn Agonist Agonist 6.4 pEC50 - 1
pEC50 6.4 (EC50 4x10-7 M) [1]