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]
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Therapeutic Class

Dietary supplement

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:32816
CAS Number: 127-17-3
DrugBank ID: DB00119
TTD ID: D0G4JI
VARIDT ID: DR01397

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]

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Drug Transporter (DTP)

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

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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]
Steroid 17-alpha-hydroxylase/17,20 lyase (CYP17A1)	OTZKVLVJ	CP17A_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.