| Synonyms: | |
| Status: | Approved (2021) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06AX09 |
| UNII: | 5I5Y2789ZF |
Structure
| InChI Key | YWPHCCPCQOJSGZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.3 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 39.72 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | - | 155 | 16500 | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94405 |
| ChEMBL | CHEMBL306700 |
| DrugBank | DB09185 |
| DrugCentral | 2820 |
| EPA CompTox | DTXSID6057900 |
| FDA SRS | 5I5Y2789ZF |
| PubChem | 5666 |
| SureChEMBL | SCHEMBL34168 |
CONTENTS