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Compound InformationSONAR 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 Failures0
TPSA85.04
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] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6774±0.00127279
Normalized OD Score: sc h 1.0366±0.00101042
Z-Score: 1.5228±0.0228659
p-Value: 0.12786
Z-Factor: -1.79526
Fitness Defect: 2.0568
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00077
Plate DMSO Control (-):0.655525±0.02870
Plate Z-Factor:0.8560
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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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