| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | DQH6T6D8OY |
| Parent Compound: | TIAGABINE |
Structure
| InChI Key | YUKARLAABCGMCN-PKLMIRHRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H26ClNO2S2 |
| Molecular Weight | 412.02 |
| AlogP | 5.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 40.54 |
| 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
|
- | 49 | - | 67 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anxiety | 3 | D001007 | ClinicalTrials |
| Anxiety Disorders | 3 | D001008 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 85388 |
| ChEMBL | CHEMBL1695 |
| EPA CompTox | DTXSID2044218 |
| FDA SRS | DQH6T6D8OY |
| Guide to Pharmacology | 4818 |
| KEGG | C07503 |
| PubChem | 91274 |
| SureChEMBL | SCHEMBL41860 |
| ZINC | ZINC03831531 |
CONTENTS