ACLIDINIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: Salt
ATC: R03BB05
UNII: UQW7UF9N91
Parent Compound: ACLIDINIUM

Structure
InChI Key XLAKJQPTOJHYDR-QTQXQZBYSA-M
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M3 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
- 0-0 - 0-0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 4 D029424 FDA
Emphysema 4 D004646 FDA
Bronchitis, Chronic 4 D029481 FDA
Bronchial Spasm 4 D001986 FDA
Tobacco Use Disorder 3 D014029 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
17.23
Respiratory, thoracic and mediastinal disorders
15.74
Product issues
13.33
Cardiac disorders
7.76
Nervous system disorders
7.11
General disorders and administration site conditions
6.8
Psychiatric disorders
5.13
Investigations
3.78
Gastrointestinal disorders
3.62
Infections and infestations
3.4
Musculoskeletal and connective tissue disorders
3.05
Eye disorders
3.03
Vascular disorders
2.5

Cross References

Resources Reference
ChEBI 65344
ChEMBL CHEMBL551466
EPA CompTox DTXSID30185854
FDA SRS UQW7UF9N91
PubChem 11519741
SureChEMBL SCHEMBL72694
CONTENTS