Details of the Drug

General Information of Drug (ID: DMST6A3)

Drug Name

Sodium pyruvate

Synonyms

SODIUM PYRUVATE; 113-24-6; Pyruvic acid sodium salt; sodium 2-oxopropanoate; Pyruvic acid, sodium salt; Propanoic acid, 2-oxo-, sodium salt; Sodium alpha-ketopropionate; 2-Oxopropanoic acid sodium salt; UNII-POD38AIF08; POD38AIF08; CHEBI:50144; Natriumpyruvat; alpha-Ketopropionic acid sodium salt; MFCD00002586; Propanoic acid, 2-oxo-, sodium salt (1:1); S-6005; Pyruvic acid, sodium salt, 99+%; Pyruvate Sodium; Natrum pyruvicum; CHEMBL181886; sodiumpyruvate; Guna-flam; Guna-hypertension; EINECS 204-024-4; pyruvic acid na-salt; N-115; Sodium pyruvate (inhaled); Reactive oxygen species antagonist (inhaled), EmphyCorp; Sodium pyruvate (inhaled), EmphyCorp; PYRUVATE SODIUM

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

110.04

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C3H3NaO3
IUPAC Name: sodium;2-oxopropanoate
Canonical SMILES: CC(=O)C(=O)[O-].[Na+]
InChI: InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKey: DAEPDZWVDSPTHF-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 23662274
ChEBI ID: CHEBI:50144
CAS Number: 113-24-6
TTD ID: D02ECG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[2]
Reactive oxygen species (ROS)	TTULV0X	NOUNIPROTAC	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Asthma

ICD Disease Classification

CA23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00262652) Safety and Efficacy Study of the Use of Sodium Pyruvate Bronchodilation in Asthmatics. U.S. National Institutes of Health.
2	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1;15(3):573-8.
3	A molecular mechanism of pyruvate protection against cytotoxicity of reactive oxygen species in osteoblasts. Mol Pharmacol. 2006 Sep;70(3):925-35.