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Compound InformationSONAR Target prediction
Name:

SPIRONOLACTONE

Unique Identifier:SPE01500539
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:387.344 g/mol
X log p:1.436  (online calculus)
Lipinksi Failures0
TPSA85.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C12
Source:synthetic
Therapeutics:diuretic
Generic_name:Spironolactone
Drug_type:Approved Drug
Pharmgkb_id:PA451483
Kegg_compound_id:C07310
Drugbank_id:APRD01234
Melting_point:134.5 oC
H2o_solubility:Practically insoluble (22 mg/L)
Logp:4.308
Cas_registry_number:01/07/1952
Drug_category:Aldosterone Antagonists; Diuretics; ATC:C03DA01
Indication:Used primarily to treat low-renin hypertension, hypokalemia, and Conn-s syndrome.
Pharmacology:Spironolactone is a synthetic 17-lactone steroid which is a renal competitive
aldosterone antagonist in a class of pharmaceuticals called potassium-sparing
diuretics. On its own, spironolactone is only a weak diuretic, but it can be
combined with other diuretics. Due to its anti-androgen effect, it can also be used
to treat hirsutism, and is a common component in hormone therapy for male-to-female
transgendered people. Spironolactone inhibits the effect of aldosterone by competing
for intracellular aldosterone receptor in the distal tubule cells. This increases
the secretion of water and sodium, while decreasing the excretion of potassium.
Spironolactone has a fairly slow onset of action, taking several days to develop and
similarly the effect diminishes slowly.
Mechanism_of_action:Spironolactone is a specific pharmacologic antagonist of aldosterone, acting
primarily through competitive binding of receptors at the aldosterone-dependent
sodium-potassium exchange site in the distal convoluted renal tubule. Spironolactone
causes increased amounts of sodium and water to be excreted, while potassium is
retained. Spironolactone acts both as a diuretic and as an antihypertensive drug by
this mechanism. It may be given alone or with other diuretic agents which act more
proximally in the renal tubule.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.6565±0.00615183
Normalized OD Score: sc h 0.9829±0.000445612
Z-Score: -0.8229±0.00187301
p-Value: 0.41055
Z-Factor: -7.42509
Fitness Defect: 0.8903
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00060
Plate DMSO Control (-):0.650275±0.01677
Plate Z-Factor:0.9222
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DBLink | Rows returned: 232 3 4 Next >> 
5267
5833
452291
6093165
6419955
6432512

internal high similarity DBLink | Rows returned: 1
LOPAC 00071 1.0000

active | Cluster 3350 | Additional Members: 7 | Rows returned: 0

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