| Compound Information | SONAR Target prediction |
| Name: | ACETAZOLAMIDE |
| Unique Identifier: | SPE01500102 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 216.2 g/mol |
| X log p: | -0.54 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 109.61 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | CC(=O)Nc1sc(nn1)S(N)(=O)=O |
| Source: | synthetic |
| Therapeutics: | carbonic anhydrase inhibitor, diuretic, antiglaucoma |
| Generic_name: | Acetazolamide |
| Chemical_iupac_name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448018 |
| Kegg_compound_id: | C06805 |
| Drugbank_id: | APRD00119 |
| Melting_point: | 260.5 oC |
| H2o_solubility: | 980 mg/L |
| Logp: | -0.224 |
| Isoelectric_point: | 7.2 |
| Cas_registry_number: | 59-66-5 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C59665&Index=0&Type=Mass&Large=on |
| Drug_category: | Diuretics; Anticonvulsants; Carbonic Anhydrase Inhibitors; ATC:S01EC01 |
| Indication: | For adjunctive treatment of: edema due to congestive heart failure; drug-induced edema; centrencephalic epilepsies; chronic simple (open-angle) glaucoma |
| Pharmacology: | Acetazolamide is a potent carbonic anhydrase inhibitor, effective in the control of fluid secretion, in the treatment of certain convulsive disorders and in the promotion of diuresis in instances of abnormal fluid retention. Acetazolamide is not a mercurial diuretic. Rather, it is a nonbacteriostatic sulfonamide possessing a chemical structure and pharmacological activity distinctly different from the bacteriostatic sulfonamides. |
| Mechanism_of_action: | The anticonvulsant activity of Acetazolamide may depend on a direct inhibition of carbonic anhydrase in the CNS, which decreases carbon dioxide tension in the pulmonary alveoli, thus increasing arterial oxygen tension. The diuretic effect depends on the inhibition of carbonic anhydrase, causing a reduction in the availability of hydrogen ions for active transport in the renal tubule lumen. This leads to alkaline urine and an increase in the excretion of bicarbonate, sodium, potassium, and water. |
| Organisms_affected: | Humans and other mammals |
| Found: 65 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [65] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.9020±0.0410829 |
| Normalized OD Score: sc h | 0.7730±0.0656048 |
| Z-Score: | -4.4253±1.20378 |
| p-Value: | 0.000175808 |
| Z-Factor: | -0.327165 |
| Fitness Defect: | 8.6461 |
| Bioactivity Statement: | Outlier |
| ps |
| DBLink | Rows returned: 4 |
| 1986 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| 15021 | sodium (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide |
| 15966497 | (5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide; beryllium(+2) cation |
| 16051949 | sodium N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00569 | 1.0000 |
| active | Cluster 14119 | Additional Members: 3 | Rows returned: 0 |
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