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Compound InformationSONAR Target prediction
Name:

Copper Sulfate

Unique Identifier:LAT007A07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:CuO4S
Molecular Weight:159.61 g/mol
X log p:-1.764  (online calculus)
Lipinksi Failures0
TPSA88.64
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:[Cu+2].[O-]S([O-])(=O)=O
Generic_name:Magnesium Sulfate
Chemical_iupac_name:Magnesium sulfate
Drug_type:Approved Drug
Pharmgkb_id:PA450302
Kegg_compound_id:D01108
Drugbank_id:APRD01080
Melting_point:1124 oC (decomposition)
H2o_solubility:710 mg/mL
Logp:-0.91
Cas_registry_number:7487-88-9
Drug_category:Analgesics; Anesthetics; Anti-Arrhythmia Agents; Anticonvulsants; Calcium Channel
Blockers; Tocolytic Agents; ATC:A06AD04; ATC:A12CC02; ATC:B05XA05; ATC:D11AX05;
ATC:V04CC02
Indication:Used for immediate control of life-threatening convulsions in the treatment of
severe toxemias (pre-eclampsia and eclampsia) of pregnancy and in the treatment of
acute nephritis in children. Also indicated for replacement therapy in magnesium
deficiency, especially in acute hypomagnesemia accompanied by signs of tetany
similar to those of hypocalcemia. Also used in uterine tetany as a myometriat
relaxant.
Pharmacology:Magnesium sulfate is a small colorless crystal used as an anticonvulsant, a
cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and
eclampsia. It causes direct inhibition of action potentials in myometrial muscle
cells. Excitation and contraction are uncoupled, which decreases the frequency and
force of contractions. Magnesium sulfate is gaining popularity as an initial
treatment in the management of various dysrhythmias, particularly torsades de
pointes, and dyrhythmias secondary to TCA overdose or digitalis toxicity.
Mechanism_of_action:Magnesium is the second most plentiful cation of the intracellular fluids. It is
essential for the activity of many enzyme systems and plays an important role with
regard to neurochemical transmission and muscular excitability. Magnesium sulfate
reduces striated muscle contractions and blocks peripheral neuromuscular
transmission by reducing acetylcholine release at the myoneural junction.
Additionally, Magnesium inhibits Ca2+ influx through
dihydropyridine-sensitive, voltage-dependent channels. This accounts for much of its
relaxant action on vascular smooth muscle.
Organisms_affected:Humans and other mammals

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6422±0.0132936
Normalized OD Score: sc h 1.0121±0.0141919
Z-Score: 0.4674±0.369012
p-Value: 0.651448
Z-Factor: -6.35168
Fitness Defect: 0.4286
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:7|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00225
Plate DMSO Control (-):0.6298250000000001±0.01052
Plate Z-Factor:0.9414
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DBLink | Rows returned: 289[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [49]
3489420 n/a
3594980 sulfuric acid; zirconium
3759926 platinum; sulfuric acid
3876601 n/a
3993499 n/a
4237300 chromium; sulfuric acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 142 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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