| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1953) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | S01EC01 |
| UNII: | O3FX965V0I |
| InChI Key | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6N4O3S2 |
| Molecular Weight | 222.25 |
| AlogP | -0.86 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 115.04 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Carbonic anhydrase II inhibitor | PubMed |
| Primary Target | |
|---|---|
| carbonic anhydrase 7 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 21000 | 88 | |
|
Enzyme
Lyase
|
- | 3-8300 | 3-46 | 0-74000 | 13-100 | |
|
Enzyme
|
- | 3-8300 | 3-46 | 0-74000 | 13-100 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 85 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 4 | D006333 | ClinicalTrials |
| Pseudotumor Cerebri | 3 | D011559 | ClinicalTrials |
| Hydrocephalus, Normal Pressure | 3 | D006850 | ClinicalTrials |
| Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
| Apnea | 3 | D001049 | ClinicalTrials |
| Status Epilepticus | 2 | D013226 | ClinicalTrials |
| Chronic Pain | 2 | D059350 | ClinicalTrials |
| Helicobacter Infections | 2 | D016481 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Cysticercosis | 2 | D003551 | ClinicalTrials |
| Landau-Kleffner Syndrome | 2 | D018887 | ClinicalTrials |
| Sleep Apnea, Obstructive | 2 | D020181 | ClinicalTrials |
| Kidney Diseases | 2 | D007674 | ClinicalTrials |
| Macular Edema | 2 | D008269 | ClinicalTrials |
| Hypertension, Pulmonary | 2 | D006976 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Schizophrenia | 1 | D012559 | ClinicalTrials |
| Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
| Andersen Syndrome | 1 | D050030 | ClinicalTrials |
| Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-66-5 |
| ChEBI | 27690 |
| ChEMBL | CHEMBL20 |
| DrugBank | DB00819 |
| DrugCentral | 56 |
| EPA CompTox | DTXSID7022544 |
| FDA SRS | O3FX965V0I |
| Human Metabolome Database | HMDB0014957 |
| Guide to Pharmacology | 6792 |
| KEGG | C06805 |
| PDB | AZM |
| PharmGKB | PA448018 |
| PubChem | 1986 |
| SureChEMBL | SCHEMBL23219 |
| ZINC | ZINC000003813042 |