| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2013) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| ATC: | R03BB07 |
| UNII: | 7AN603V4JV |
| Parent Compound: | UMECLIDINIUM |
Structure
| InChI Key | PEJHHXHHNGORMP-UHFFFAOYSA-M |
|---|---|
| Smile | |
| InChI |
|
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
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Muscarinic acetylcholine receptor M3 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
|
- | - | 0-0 | 0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 3 | D001249 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL523299 |
| EPA CompTox | DTXSID50235966 |
| FDA SRS | 7AN603V4JV |
| PubChem | 11519069 |
| SureChEMBL | SCHEMBL109931 |
CONTENTS