UMECLIDINIUM BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
ATC R03BB07
UNII 7AN603V4JV
EPA CompTox DTXSID50235966
Parent Compound: UMECLIDINIUM

Structure

InChI Key PEJHHXHHNGORMP-UHFFFAOYSA-M
Smiles OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
InChI
InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34BrNO2
Molecular Weight 508.5
AlogP 5.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - 0.03162-0.3162 0.06-0.16 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 0.03162-0.3162 0.06-0.16 -

Target Conservation

Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEMBL CHEMBL523299
FDA SRS 7AN603V4JV
PubChem 11519069
SureChEMBL SCHEMBL109931
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