| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02AA03 |
| UNII: | Q812464R06 |
Structure
| InChI Key | WVLOADHCBXTIJK-YNHQPCIGSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 49.77 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 21.0 |
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
|
11 | - | - | 0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 4 | D010146 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Ileus | 3 | D045823 | ClinicalTrials |
| Anemia, Sickle Cell | 3 | D000755 | ClinicalTrials |
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Mucositis | 3 | D052016 | ClinicalTrials |
| Heroin Dependence | 3 | D006556 | ClinicalTrials |
| Osteoarthritis, Hip | 3 | D015207 | ClinicalTrials |
| Chronic Pain | 3 | D059350 | ClinicalTrials |
| Wounds and Injuries | 2 | D014947 | ClinicalTrials |
| Constipation | 2 | D003248 | ClinicalTrials |
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 466-99-9 |
| ChEBI | 5790 |
| ChEMBL | CHEMBL398707 |
| DrugBank | DB00327 |
| DrugCentral | 1393 |
| EPA CompTox | DTXSID8023133 |
| FDA SRS | Q812464R06 |
| Human Metabolome Database | HMDB0014472 |
| Guide to Pharmacology | 7082 |
| KEGG | C07042 |
| PharmGKB | PA449918 |
| PubChem | 5284570 |
| SureChEMBL | SCHEMBL2255 |
| ZINC | ZINC000000402954 |
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