| Synonyms: | |
| Status: | Approved (1991) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 27618J1N2X |
Structure
| InChI Key | JAQUASYNZVUNQP-USXIJHARSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.38 |
| AlogP | 3.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 23.47 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Primary Target | |
|---|---|
| μ receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 25000 | - | |
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 1200-7700 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 25000 | - | - | 33 | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
- | 1-17 | - | 4-4 | - | |
|
Membrane receptor
|
- | 1-17 | - | 4-4 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 8000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 0 | D010146 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-07-6 |
| ChEBI | 6444 |
| ChEMBL | CHEMBL592 |
| DrugBank | DB00854 |
| DrugCentral | 1574 |
| EPA CompTox | DTXSID3023213 |
| FDA SRS | 27618J1N2X |
| Human Metabolome Database | HMDB0014992 |
| Guide to Pharmacology | 7595 |
| KEGG | C08014 |
| PharmGKB | PA164744368 |
| PubChem | 5359272 |
| SureChEMBL | SCHEMBL24335 |
| ZINC | ZINC000003812984 |
CONTENTS