| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1958) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A10BB02 |
| UNII: | WTM2C3IL2X |
| InChI Key | RKWGIWYCVPQPMF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13ClN2O3S |
| Molecular Weight | 276.75 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 75.27 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0-0 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 102 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | 39500 | - |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-20-2 |
| ChEBI | 3650 |
| ChEMBL | CHEMBL498 |
| DrugBank | DB00672 |
| DrugCentral | 622 |
| EPA CompTox | DTXSID9020322 |
| FDA SRS | WTM2C3IL2X |
| Human Metabolome Database | HMDB0014810 |
| Guide to Pharmacology | 6801 |
| KEGG | D00271 |
| PharmGKB | PA448966 |
| PubChem | 2727 |
| SureChEMBL | SCHEMBL23947 |
| ZINC | ZINC000001530599 |