| Synonyms: | |
| Status: | Approved (1978) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02AF01 |
| UNII: | QV897JC36D |
Structure
| InChI Key | IFKLAQQSCNILHL-QHAWAJNXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H29NO2 |
| Molecular Weight | 327.47 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.7 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Primary Target | |
|---|---|
| κ receptor | |
| 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
|
3 | 14 | - | 0-0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 4 | D010146 | ClinicalTrials |
| Anxiety | 2 | D001007 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42408-82-2 |
| ChEBI | 3242 |
| ChEMBL | CHEMBL33986 |
| DrugCentral | 454 |
| EPA CompTox | DTXSID1022714 |
| FDA SRS | QV897JC36D |
| Guide to Pharmacology | 7591 |
| KEGG | C06863 |
| PharmGKB | PA164745398 |
| PubChem | 5361092 |
| SureChEMBL | SCHEMBL3749 |
| ZINC | ZINC000003812988 |
CONTENTS