| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N01AH03 |
| UNII: | AFE2YW0IIZ |
Structure
| InChI Key | GGCSSNBKKAUURC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H30N2O2S |
| Molecular Weight | 386.56 |
| AlogP | 4.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 32.78 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
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
|
1-2 | 0 | - | 0 | - | |
|
Other membrane protein
|
- | 2077 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 19360 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Back Pain | 3 | D001416 | ClinicalTrials |
| Pregnancy | 3 | D011247 | ClinicalTrials |
| Pulpitis | 2 | D011671 | ClinicalTrials |
| Wounds and Injuries | 2 | D014947 | ClinicalTrials |
| Chronic Pain | 2 | D059350 | ClinicalTrials |
| Delirium | 0 | D003693 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56030-54-7 |
| ChEBI | 9316 |
| ChEMBL | CHEMBL658 |
| DrugBank | DB00708 |
| DrugCentral | 2491 |
| EPA CompTox | DTXSID6023604 |
| FDA SRS | AFE2YW0IIZ |
| Human Metabolome Database | HMDB0014846 |
| Guide to Pharmacology | 3534 |
| KEGG | C08022 |
| PharmGKB | PA451527 |
| PubChem | 41693 |
| SureChEMBL | SCHEMBL26728 |
| ZINC | ZINC000000538386 |
CONTENTS