| Synonyms: | |
| Status: | Approved (1979) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N06AA06 |
| UNII: | 6S082C9NDT |
Structure
| InChI Key | ZSCDBOWYZJWBIY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H26N2 |
| Molecular Weight | 294.44 |
| AlogP | 4.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 6.48 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Primary Target | |
|---|---|
| DAT | |
| NET | |
| SERT |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 27700 | - | - | 77 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 4 | D003866 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 739-71-9 |
| ChEBI | 9738 |
| ChEMBL | CHEMBL644 |
| DrugBank | DB00726 |
| DrugCentral | 2758 |
| EPA CompTox | DTXSID8023715 |
| FDA SRS | 6S082C9NDT |
| Human Metabolome Database | HMDB0014864 |
| Guide to Pharmacology | 7317 |
| PharmGKB | PA451791 |
| PubChem | 5584 |
| SureChEMBL | SCHEMBL35144 |
CONTENTS