| Compound Information | SONAR Target prediction |
| Name: | VALPROATE SODIUM |
| Unique Identifier: | SPE01500606 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 151.074 g/mol |
| X log p: | -0.778 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 40.13 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | [Na+].[O-]C(=O)C(CCC)CCC |
| Source: | synthetic |
| Therapeutics: | anticonvulsant |
| Generic_name: | Divalproex |
| Chemical_iupac_name: | sodium; 2-propylpentanoate; 2-propylpentanoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449377 |
| Kegg_compound_id: | D00304 |
| Drugbank_id: | APRD00066 |
| Melting_point: | 222oC |
| H2o_solubility: | Slightly soluble (2000 mg/L) |
| Logp: | 2.549 |
| Isoelectric_point: | 4.8 |
| Cas_registry_number: | 76584-70-8 |
| Drug_category: | Antimanic Agents; GABA Agents; Anticonvulsants; ATC:N03AG |
| Indication: | For treatment and management of seizure disorders, mania, and prophylactic treatment of migraine headache. |
| Pharmacology: | Divalproex is a stable co-ordination compound comprised of sodium valproate and valproic acid in a 1:1 molar relationship and formed during the partial neutralization of valproic acid with 0.5 equivalent of sodium hydroxide. Divalproex is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder. It is also used to treat migraine headaches and schizophrenia. In epileptics, divalproex is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome. Divalproex is believed to affect the function of the neurotransmitter GABA (as a GABA transaminase inhibitor) in the human brain. Divalproex dissociates to the valproate ion in the gastrointestinal tract. |
| Mechanism_of_action: | Divalproex binds to and inhibits GABA transaminase. The drug-s anticonvulsant activity may be related to increased brain concentrations of gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter in the CNS, by inhibiting enzymes that catabolize GABA or block the reuptake of GABA into glia and nerve endings. Divalproex may also work by suppressing repetitive neuronal firing through inhibition of voltage-sensitive sodium channels. |
| Organisms_affected: | Humans and other mammals |
| Found: 8 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 Next >> |
| Species: | 4932 |
| Condition: | BY4741-2nd |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8610±0 |
| Normalized OD Score: sc h | 0.8991±0 |
| Z-Score: | -4.0896±0 |
| p-Value: | 0.0000432152 |
| Z-Factor: | 0.157786 |
| Fitness Defect: | 10.0493 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 16 | 1 2 3 Next >> |
| 3121 | 2-propylpentanoic acid |
| 14047 | sodium 2-propylpentanoate |
| 53519 | sodium; 2-propylpentanoate; 2-propylpentanoic acid |
| 86480 | calcium 2-propylpentanoate |
| 104067 | 2,2-dipropylpentanoic acid |
| 134947 | 2-methyl-2-propyl-pentanoic acid |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00079 | 1.0000 |
| active | Cluster 2030 | Additional Members: 3 | Rows returned: 0 |
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