| Synonyms: | |
| Status: | Approved (1983) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02AA08 |
| UNII: | N9I9HDB855 |
Structure
| InChI Key | RBOXVHNMENFORY-DNJOTXNNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H23NO3 |
| Molecular Weight | 301.39 |
| AlogP | 1.73 |
| 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
| 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
|
- | - | - | - | 17-40 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 4 | D010146 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 125-28-0 |
| ChEBI | 135276 |
| ChEMBL | CHEMBL1595 |
| DrugBank | DB01551 |
| DrugCentral | 886 |
| EPA CompTox | DTXSID5022936 |
| FDA SRS | N9I9HDB855 |
| Guide to Pharmacology | 7594 |
| PubChem | 5284543 |
| SureChEMBL | SCHEMBL24607 |
| ZINC | ZINC000004215736 |
CONTENTS