| Synonyms: | |
| Status: | Approved (1952) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R05DA04 |
| UNII: | UX6OWY2V7J |
Structure
| InChI Key | OROGSEYTTFOCAN-DNJOTXNNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.37 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 41.93 |
| 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(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 6 | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
6100 | 10000 | - | 727-6300 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 39 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Toothache | 3 | D014098 | ClinicalTrials |
| Myopia | 3 | D009216 | ClinicalTrials |
| Neck Pain | 2 | D019547 | ClinicalTrials |
| Osteoarthritis | 2 | D010003 | ClinicalTrials |
| Constipation | 1 | D003248 | ClinicalTrials |
| Anemia, Sickle Cell | 1 | D000755 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76-57-3 |
| ChEBI | 16714 |
| ChEMBL | CHEMBL485 |
| DrugBank | DB00318 |
| DrugCentral | 725 |
| EPA CompTox | DTXSID2020341 |
| FDA SRS | UX6OWY2V7J |
| Human Metabolome Database | HMDB0004995 |
| Guide to Pharmacology | 1673 |
| KEGG | C06174 |
| PharmGKB | PA449088 |
| PubChem | 5362471 |
| SureChEMBL | SCHEMBL3257 |
| ZINC | ZINC000003806721 |
CONTENTS