| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 0RK7M7IABE |
Structure
| InChI Key | JVLBPIPGETUEET-GAAHOAFPSA-O |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H26NO4+ |
| Molecular Weight | 356.44 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.76 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Primary Target | |
|---|---|
| μ receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
- | - | - | 20 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Constipation | 3 | D003248 | ClinicalTrials |
| Ileus | 3 | D045823 | ClinicalTrials |
| Gastroparesis | 2 | D018589 | ClinicalTrials |
| Pancreatitis | 2 | D010195 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Kidney Diseases | 1 | D007674 | ClinicalTrials |
| Opioid-Related Disorders | 1 | D009293 | ClinicalTrials |
| Intestinal Obstruction | 1 | D007415 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 916055-93-1 |
| ChEBI | 136007 |
| ChEMBL | CHEMBL1186579 |
| DrugCentral | 4616 |
| EPA CompTox | DTXSID20873339 |
| FDA SRS | 0RK7M7IABE |
| Guide to Pharmacology | 7563 |
| PubChem | 16089915 |
| SureChEMBL | SCHEMBL49356 |
| ZINC | ZINC000005764759 |
CONTENTS