| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R05DA03 |
| UNII: | 6YKS4Y3WQ7 |
Structure
| InChI Key | LLPOLZWFYMWNKH-CMKMFDCUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.37 |
| AlogP | 1.93 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.77 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
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
|
- | - | - | 10 | 37 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Osteoarthritis | 3 | D010003 | ClinicalTrials |
| Chronic Pain | 3 | D059350 | ClinicalTrials |
| Vomiting | 3 | D014839 | ClinicalTrials |
| Nausea | 3 | D009325 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Eye Diseases | 2 | D005128 | ClinicalTrials |
| Wounds and Injuries | 2 | D014947 | ClinicalTrials |
| Rotator Cuff Injuries | 2 | D000070636 | ClinicalTrials |
| Ankle Fractures | 0 | D064386 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 125-29-1 |
| ChEBI | 5779 |
| ChEMBL | CHEMBL1457 |
| DrugBank | DB00956 |
| DrugCentral | 1386 |
| EPA CompTox | DTXSID8023131 |
| FDA SRS | 6YKS4Y3WQ7 |
| Human Metabolome Database | HMDB0015091 |
| Guide to Pharmacology | 7081 |
| KEGG | C08024 |
| PharmGKB | PA449900 |
| PubChem | 5284569 |
| SureChEMBL | SCHEMBL2987 |
| ZINC | ZINC000001280665 |
CONTENTS