| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1959) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | S01EC05 |
| UNII: | W733B0S9SD |
| InChI Key | FLOSMHQXBMRNHR-QPJJXVBHSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8N4O3S2 |
| Molecular Weight | 236.28 |
| AlogP | -1.42 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 107.41 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
| Primary Target | |
|---|---|
| carbonic anhydrase 7 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | 5-21 | - | 9-14000 | - | |
|
Enzyme
|
- | 5-21 | - | 9-14000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 101 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
| Altitude Sickness | 1 | D000532 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 554-57-4 |
| ChEBI | 6822 |
| ChEMBL | CHEMBL19 |
| DrugBank | DB00703 |
| FDA SRS | W733B0S9SD |
| Guide to Pharmacology | 6828 |
| KEGG | C07764 |
| SureChEMBL | SCHEMBL24687 |
| ZINC | ZINC000100019188 |