| Compound Information | SONAR Target prediction |
| Name: | HYDROFLUMETHIAZIDE |
| Unique Identifier: | SPE01500341 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 323.231 g/mol |
| X log p: | 3.303 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 85.04 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F |
| Source: | synthetic |
| Therapeutics: | antihypertensive, diuretic |
| Generic_name: | Hydroflumethiazide |
| Chemical_iupac_name: | 5,5-dioxo-9-(trifluoromethyl)-5lambda{6}-thia-2,4-diazabicyclo[4.4.0]deca-7,9,11-tri ene-8-sulfonamide |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449914 |
| Kegg_compound_id: | C07763 |
| Drugbank_id: | APRD01020 |
| Melting_point: | 272 - 273 oC |
| Logp: | 0.108 |
| Isoelectric_point: | 8.9 and 10.7 |
| Cas_registry_number: | 09/01/135 |
| Drug_category: | Antihypertensive Agents; Diuretics, Thiazide; ATC:C03AA02 |
| Indication: | Used as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. Also used in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension. |
| Pharmacology: | Hydroflumethiazide is an oral thiazide used to treat hypertension and edema. High blood pressure adds to the workload of the heart and arteries. If it continues for a long time, the heart and arteries may not function properly. This can damage the blood vessels of the brain, heart, and kidneys, resulting in a stroke, heart failure, or kidney failure. High blood pressure may also increase the risk of heart attacks. Like other thiazides, Hydroflumethiazide promotes water loss from the body (diuretics). Thiazides inhibit Na+/Cl- reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue. |
| Mechanism_of_action: | As a diuretic, Hydroflumethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like Hydroflumethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of Hydroflumethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8825±0.0325269 |
| Normalized OD Score: sc h | 1.0008±0.00412879 |
| Z-Score: | 0.5331±0.0901115 |
| p-Value: | 0.594704 |
| Z-Factor: | -1.22332 |
| Fitness Defect: | 0.5197 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 3647 | 10,10-dioxo-4-(trifluoromethyl)-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,11-triene-3-sulfonamide |
| internal high similarity DBLink | Rows returned: 1 |
| SB 01887 | 1.0000 |
| active | Cluster 5962 | Additional Members: 10 | Rows returned: 0 |
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