Details of the Drug

General Information of Drug (ID: DM7Q41G)

Drug Name
Pyruvic acid
Synonyms
BTS; Brenztraubensaeure; Acetylformic acid; Acide pyruvique; Pyroracemic acid; CH3COCOOH; A-Ketopropionic acid; Alpha-Ketopropionic acid; Alpha-Oxopropionsaeure; Alpha-keto propionic acid; Alpha-ketopropionic acid; P-9250; Pyruvic acid (8CI); Pyruvic acid (natural); Propanoic acid, 2-oxo-(9CI); 2-Ketopropionic acid; 2-Oxopropanoate; 2-Oxopropanoic acid; 2-Oxopropansaeure; 2-Oxopropionic acid; 2-Oxopropionsaeure; 2-oxo(1-14c)propanoic acid; 2-oxo-propionic acid
Indication
Disease Entry ICD 11 Status REF
Malnutrition 5B50-5B71 Approved [1]
Therapeutic Class
Dietary supplement
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 88.06
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Metabolism
The drug is metabolized via the liver []
Chemical Identifiers
Formula
C3H4O3
IUPAC Name
2-oxopropanoic acid
Canonical SMILES
CC(=O)C(=O)O
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1060
ChEBI ID
CHEMBL1162144
CAS Number
127-17-3
UNII
8558G7RUTR
DrugBank ID
DB00119
TTD ID
D0G4JI
VARIDT ID
DR01397
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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 [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Monocarboxylate transporter 1 (SLC16A1) DT342ZG MOT1_HUMAN Substrate [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
C-terminal-binding protein 1 (CTBP1) OTVYH2DH CTBP1_HUMAN Protein Interaction/Cellular Processes [4]
C-terminal-binding protein 2 (CTBP2) OTGZGT87 CTBP2_HUMAN Protein Interaction/Cellular Processes [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4809).
2 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
3 AR-C155858 is a potent inhibitor of monocarboxylate transporters MCT1 and MCT2 that binds to an intracellular site involving transmembrane helices 7-10. Biochem J. 2010 Jan 15;425(3):523-30.
4 Phosphorylation of CtBP1 by cAMP-dependent protein kinase modulates induction of CYP17 by stimulating partnering of CtBP1 and 2. J Biol Chem. 2008 Mar 14;283(11):6925-34. doi: 10.1074/jbc.M708432200. Epub 2008 Jan 9.