| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8BA8T27317 |
Structure
| InChI Key | YELGFTGWJGBAQU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.25 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.1 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
118 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Amphetamine-Related Disorders | 1 | D019969 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1189805-46-6 |
| ChEBI | 59331 |
| ChEMBL | CHEMBL4094396 |
| DrugBank | DB13108 |
| EPA CompTox | DTXSID20891437 |
| FDA SRS | 8BA8T27317 |
| Human Metabolome Database | HMDB0041923 |
| PubChem | 45266826 |
| SureChEMBL | SCHEMBL727913 |
CONTENTS