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 |