Details of the Drug

General Information of Drug (ID: DMCA2XQ)

Drug Name

4-hydroxy-but-2-enoate

Synonyms

CHEMBL354804

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

124.07

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C4H5NaO3
IUPAC Name: sodium;(E)-4-hydroxybut-2-enoate
Canonical SMILES: C(/C=C/C(=O)[O-])O.[Na+]
InChI: InChI=1S/C4H6O3.Na/c5-3-1-2-4(6)7;/h1-2,5H,3H2,(H,6,7);/q;+1/p-1/b2-1+;
InChIKey: PUAFPEZXZZJTBR-TYYBGVCCSA-M

Cross-matching ID

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)

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.