| Synonyms: | |
| Status: | Approved (1977) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M03BX08 |
| UNII: | 69O5WQQ5TI |
Structure
| InChI Key | JURKNVYFZMSNLP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H21N |
| Molecular Weight | 275.4 |
| AlogP | 4.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 3.24 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | - | 95 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Liver Cirrhosis | 3 | D008103 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
| Fibromyalgia | 3 | D005356 | ClinicalTrials |
| Depressive Disorder | 1 | D003866 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 303-53-7 |
| ChEBI | 3996 |
| ChEMBL | CHEMBL669 |
| DrugBank | DB00924 |
| DrugCentral | 751 |
| EPA CompTox | DTXSID0046933 |
| FDA SRS | 69O5WQQ5TI |
| Human Metabolome Database | HMDB0015060 |
| Guide to Pharmacology | 7152 |
| KEGG | C06931 |
| PharmGKB | PA449160 |
| PubChem | 2895 |
| SureChEMBL | SCHEMBL38527 |
| ZINC | ZINC000000968263 |
CONTENTS