Details of the Drug

General Information of Drug (ID: DMX6PLV)

Drug Name

Sodium valproate

Synonyms

Sodium valproate; Sodium 2-propylpentanoate; 1069-66-5; Valproate sodium; Valproic acid sodium salt; Labazene; Eurekene; Orfiril; Valproic acid sodium; Epilim; Valerin; Natrium valproat; Sodium 2-propylvalerate; 2-Propylvaleric acid sodium salt; Pentanoic acid, 2-propyl-, sodium salt; 2-Propylpentanoic acid sodium salt; DEPACON; Sodium dipropylacetate; Dipropylacetate sodium; Sodium bispropylacetate; Valproinsaeure, natrium; Sodium n-dipropylacetate; UNII-5VOM6GYJ0D; Valproic Acid, Sodium Salt; Valproic Acid (sodium salt); Sodium 2

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

166.19

Topological Polar Surface Area

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C8H15NaO2
IUPAC Name: sodium;2-propylpentanoate
Canonical SMILES: CCCC(CCC)C(=O)[O-].[Na+]
InChI: InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 16760703
ChEBI ID: CHEBI:9925
CAS Number: 1069-66-5
TTD ID: D0R5HK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA transaminase (ABAT)	TTT2LD9	GABT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Influence of a GABA transaminase inhibitor on central nervous system oxygen toxicity. Aviat Space Environ Med. 1978 Jul;49(7):877-9.
2	DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
3	Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
4	Clinical pipeline report, company report or official report of Catalyst Pharma.
5	Phase II clinical trial of K-828-AB for treating behavioral and psychological symptoms of dementia. Kowa Co. Ltd.
6	Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb;16(3):592-5.
7	Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one. Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4.