Synonyms: | |
Status: | Approved (1979) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N06AA06 |
UNII: | 6S082C9NDT |
InChI Key | ZSCDBOWYZJWBIY-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Depressive Disorder | 4 | D003866 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Dementia | 3 | D003704 | ClinicalTrials |
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 |