| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1973) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C02DA01 |
| UNII: | O5CB12L4FN |
| InChI Key | GDLBFKVLRPITMI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7ClN2O2S |
| Molecular Weight | 230.68 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 58.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Inwardly rectifying potassium channel
|
8800-33000 | - | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 13 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 92 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
8800-33000 | - | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Obesity | 3 | D009765 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Depressive Disorder | 1 | D003866 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 364-98-7 |
| ChEBI | 4495 |
| ChEMBL | CHEMBL181 |
| DrugBank | DB01119 |
| DrugCentral | 854 |
| EPA CompTox | DTXSID7022914 |
| FDA SRS | O5CB12L4FN |
| Human Metabolome Database | HMDB0015251 |
| Guide to Pharmacology | 2409 |
| KEGG | C06949 |
| PDB | 20J |
| PharmGKB | PA449285 |
| PubChem | 3019 |
| SureChEMBL | SCHEMBL41254 |
| ZINC | ZINC000003872277 |