| Synonyms: | |
| Status: | Approved (1971) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A06AH04 |
| UNII: | 36B82AMQ7N |
Structure
| InChI Key | UZHSEJADLWPNLE-GRGSLBFTSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.38 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 70.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Primary Target | |
|---|---|
| δ receptor | |
| κ receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CC chemokine receptor
|
- | - | 11-21 | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
7-10 | 62-153 | 0-5 | 0-354 | 50-100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Opioid-Related Disorders | 3 | D009293 | ClinicalTrials |
| Substance Withdrawal Syndrome | 3 | D013375 | ClinicalTrials |
| Sezary Syndrome | 3 | D012751 | ClinicalTrials |
| Mycosis Fungoides | 3 | D009182 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Osteoarthritis | 3 | D010003 | ClinicalTrials |
| Parkinson Disease | 3 | D010300 | ClinicalTrials |
| Restless Legs Syndrome | 3 | D012148 | ClinicalTrials |
| Chronic Pain | 3 | D059350 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Epilepsy | 3 | D004827 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Substance-Related Disorders | 3 | D019966 | ClinicalTrials |
| Heroin Dependence | 3 | D006556 | ClinicalTrials |
| Opioid-Related Disorders | 3 | D009293 | ClinicalTrials |
| Morphine Dependence | 3 | D009021 | ClinicalTrials |
| Obesity | 2 | D009765 | ClinicalTrials |
| Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
| Irritable Bowel Syndrome | 2 | D043183 | ClinicalTrials |
| Neuralgia | 2 | D009437 | ClinicalTrials |
| Hypogonadism | 2 | D007006 | ClinicalTrials |
| Diabetic Neuropathies | 2 | D003929 | ClinicalTrials |
| Pruritus | 2 | D011537 | ClinicalTrials |
| Feeding and Eating Disorders | 2 | D001068 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
| Intestinal Obstruction | 1 | D007415 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 465-65-6 |
| ChEBI | 7459 |
| ChEMBL | CHEMBL80 |
| DrugBank | DB01183 |
| DrugCentral | 1878 |
| EPA CompTox | DTXSID8023349 |
| FDA SRS | 36B82AMQ7N |
| Human Metabolome Database | HMDB0015314 |
| Guide to Pharmacology | 1676 |
| KEGG | C07252 |
| PharmGKB | PA450586 |
| PubChem | 5284596 |
| SureChEMBL | SCHEMBL34284 |
| ZINC | ZINC000000389747 |
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