| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06AA19 |
| UNII: | 27T1I13L6G |
Structure
| InChI Key | ONNOFKFOZAJDHT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H27NO2 |
| Molecular Weight | 337.46 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 1000 | - | - | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32499 |
| ChEMBL | CHEMBL418995 |
| DrugBank | DB04836 |
| DrugCentral | 161 |
| EPA CompTox | DTXSID1048831 |
| FDA SRS | 27T1I13L6G |
| PubChem | 34870 |
| SureChEMBL | SCHEMBL34086 |
| ZINC | ZINC000002001740 |
CONTENTS