ACLIDINIUM BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
ATC R03BB05
UNII UQW7UF9N91
EPA CompTox DTXSID30185854
Parent Compound: ACLIDINIUM

Structure

InChI Key XLAKJQPTOJHYDR-QTQXQZBYSA-M
Smiles O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]
InChI
InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30BrNO4S2
Molecular Weight 564.57
AlogP 4.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 55.76
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST Expert
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
- 0.1-0.1995 - 0.07-0.56 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 0.07943 - -
Homo sapiens
- 0.1-0.1995 - 0.43-0.56 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 65344
ChEMBL CHEMBL551466
FDA SRS UQW7UF9N91
PubChem 11519741
SureChEMBL SCHEMBL72694
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