| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C01CA10 |
| UNII: | HUQ1KC1YLI |
Structure
| InChI Key | WJAJPNHVVFWKKL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.26 |
| AlogP | 1.08 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 64.71 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
720 | 170000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Fecal Incontinence | 1 | D005242 | ClinicalTrials |
| Urinary Incontinence | 1 | D014549 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6839 |
| ChEMBL | CHEMBL524 |
| DrugBank | DB00723 |
| DrugCentral | 1753 |
| EPA CompTox | DTXSID0023290 |
| FDA SRS | HUQ1KC1YLI |
| Human Metabolome Database | HMDB14861 |
| Guide to Pharmacology | 483 |
| KEGG | C07513 |
| PharmGKB | PA450431 |
| PubChem | 6082 |
| SureChEMBL | SCHEMBL34158 |
CONTENTS