| Compound Information | SONAR Target prediction |
| Name: | Copper Sulfate |
| Unique Identifier: | LAT007B07 |
| 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 Failures | 0 |
| TPSA | 88.64 |
| 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 | 1 2 3 4 5 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6449±0.0294156 |
| Normalized OD Score: sc h | 1.0173±0.00982424 |
| Z-Score: | 0.6408±0.321266 |
| p-Value: | 0.532272 |
| Z-Factor: | -3.46073 |
| Fitness Defect: | 0.6306 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 289 | 1 2 3 4 5 6 7 8 9 10 Next >> [49] |
| 1117 | sulfate |
| 1118 | sulfuric acid |
| 14799 | mercury(+2) cation; oxygen(-2) anion; sulfate |
| 24008 | lead(+2) cation sulfate |
| 24010 | antimony(+3) cation trisulfate |
| 24083 | magnesium(+2) cation sulfate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1 | Additional Members: 50 | Rows returned: 14 | 1 2 3 Next >> |
| LOPAC 00756 | 0 |
| SPE01503692 | 0 |
| LAT007G07 | 0 |
| Prest1291 | 0 |
| LAT007H07 | 0 |
| LAT007E08 | 0 |
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