Details of the Drug

General Information of Drug (ID: DMJQFZH)

Drug Name

5-hydroxy-pentanoate

Synonyms

sodium 5-hydroxypentanoate; 37435-69-1; 5-Hydroxypentanoic Acid Sodium Salt; Pentanoic acid, 5-hydroxy-, monosodium salt; sodium 5-hydroxyvalerate; C5H9O3.Na; Sodium 5-Hydroxy-Pentanoate; SCHEMBL311152; 5-hydroxypentanoic acid sodium; CHEMBL170082; 5-HydroxypentanoicAcidSodiumSalt; MolPort-027-844-925; ZJDDLWNQIJLIQU-UHFFFAOYSA-M; 5-Hydroxyvaleric acid sodium salt; 6374AJ; AKOS022186958; KS-0000090D; SY019284; BC621003; AK146710; KB-269943; CS-0047732; K-8251; MFCD22192345 (95+%)

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

140.11

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C5H9NaO3
IUPAC Name: sodium;5-hydroxypentanoate
Canonical SMILES: C(CCO)CC(=O)[O-].[Na+]
InChI: InChI=1S/C5H10O3.Na/c6-4-2-1-3-5(7)8;/h6H,1-4H2,(H,7,8);/q;+1/p-1
InChIKey: ZJDDLWNQIJLIQU-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 23695195
TTD ID: D05SGJ
VARIDT ID: DR01081

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-hydroxybutyrate receptor (SLC52A2)	TT6TKEN	S52A2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies. J Med Chem. 1988 May;31(5):893-7.