| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 0EB439235F |
Structure
| InChI Key | LERNTVKEWCAPOY-USXSHJJOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22NO4S2+ |
| Molecular Weight | 392.52 |
| AlogP | 2.35 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 59.06 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Primary Target | |
|---|---|
| M3 receptor |
| 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 | - |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 186691-13-4 |
| ChEBI | 90960 |
| ChEMBL | CHEMBL1900528 |
| DrugBank | DB01409 |
| FDA SRS | 0EB439235F |
| Guide to Pharmacology | 367 |
| PDB | 0HK |
| SureChEMBL | SCHEMBL4662461 |
| ZINC | ZINC000100008319 |
CONTENTS