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]
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
CHEMBL50144
CAS Number
113-24-6
TTD ID
D02ECG
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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 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
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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.