Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: FAA2
Replicates: 2
Raw OD Value: r im 0.6696±0.00346482
Normalized OD Score: sc h 0.9696±0.00269206
Z-Score: -1.6727±0.0244795
p-Value: 0.0944266
Z-Factor: -1.40942
Fitness Defect: 2.3599
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-05-27 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00047
Plate DMSO Control (-):0.6718500000000001±0.01333
Plate Z-Factor:0.9293
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory