aclidinium

Ligand id: 7449

Name: aclidinium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 112.24
Molecular weight 484.16
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Although this drug does not show selectivity in binding across the M1, M2 and M3 receptor subtypes [2], the mode of delivery (inhalation) and pharmacodynamics of this compound leads to its biological target being primarily the M3 receptor expressed in the lungs [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
M1 receptor Hs Antagonist Antagonist 9.9 pIC50 - 2
pIC50 9.9 (IC50 1.4x10-10 M) [2]
Description: Human M1 receptors expressed in CHO-K1 cells
M2 receptor Hs Antagonist Antagonist 9.8 pIC50 - 2
pIC50 9.8 (IC50 1.7x10-10 M) [2]
M3 receptor Hs Antagonist Antagonist 9.8 pIC50 - 2
pIC50 9.8 (IC50 1.7x10-10 M) [2]