umeclidinium

Ligand id: 7354

Name: umeclidinium

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 29.46
Molecular weight 428.26
XLogP 8.59
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
This compound has low nanomolar Kis for the M1 (0.16nM), M2 (0.15nM) and M3 (0.06nM) muscarinic acetylcholine receptor subtypes [2].
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 Hs Antagonist Antagonist 10.3 pKi - 3
pKi 10.3 [3]
M3 receptor Hs Antagonist Antagonist 10.2 pKi - 2-3
pKi 10.2 (Ki 6x10-11 M) [2-3]
M5 receptor Hs Antagonist Antagonist 9.9 pKi - 3
pKi 9.9 [3]
M2 receptor Hs Antagonist Antagonist 9.8 pKi - 2-3
pKi 9.8 (Ki 1.5x10-10 M) [2-3]
M1 receptor Hs Antagonist Antagonist 9.8 pKi - 2-3
pKi 9.8 (Ki 1.6x10-10 M) [2-3]