| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1973) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A08AA05 |
| UNII: | C56709M5NH |
Structure
| InChI Key | ZPXSCAKFGYXMGA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13ClN2O |
| Molecular Weight | 284.75 |
| AlogP | 2.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.83 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Monoamine transporter inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
|
- | 234 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 7-290 | 9 | 22-74 | 22 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22232-71-9 |
| ChEBI | 6702 |
| ChEMBL | CHEMBL781 |
| DrugBank | DB00579 |
| DrugCentral | 1640 |
| EPA CompTox | DTXSID1023237 |
| FDA SRS | C56709M5NH |
| Human Metabolome Database | HMDB0014718 |
| Guide to Pharmacology | 4591 |
| KEGG | D00367 |
| PharmGKB | PA450326 |
| PubChem | 4020 |
| SureChEMBL | SCHEMBL27849 |
| ZINC | ZINC00896621 |
CONTENTS