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targets (4) transporters (1)
for drugs
Identification
Name Glyoxalate, Glyoxylate
Accession Number DB04343 (EXPT01614)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 298-12-4
Weight Average: 74.0355
Monoisotopic: 74.00039393
Chemical Formula C2H2O3
InChI Key InChIKey=HHLFWLYXYJOTON-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
Plain Text
IUPAC Name
2-oxoacetic acid
SMILES
OC(=O)C=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point 98 °C PhysProp
pKa 3.3 (at 25 °C) DEAN,JA (1985)
Predicted Properties
Property Value Source
water solubility 2.24e+02 g/l ALOGPS
logP -0.59 ALOGPS
logP -0.13 ChemAxon
logS 0.48 ALOGPS
pKa (strongest acidic) 2.61 ChemAxon
pKa (strongest basic) -9.2 ChemAxon
physiological charge -1 ChemAxon
hydrogen acceptor count 3 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 54.37 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 13.5 ChemAxon
polarizability 5.35 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C00048 Link_out
PubChem Compound 760 Link_out
PubChem Substance 46507705 Link_out
BindingDB 19472 Link_out
ChEBI 16891 Link_out
ChEMBL 16891 Link_out
HET GLV Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Malate synthase G

Pharmacological action: unknown

Accounts for almost the entire malate-synthesizing activity in cells metabolizing glyoxylate

Organism class: bacterial
UniProt ID: P37330 Link_out
Gene: glcB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

2. Isocitrate lyase

Pharmacological action: unknown

Isocitrate = succinate + glyoxylate

Organism class: bacterial
UniProt ID: P0A5H3 Link_out
Gene: icl
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

3. Malate synthase G

Pharmacological action: unknown

Acetyl-CoA + H(2)O + glyoxylate = (S)-malate + CoA

Organism class: bacterial
UniProt ID: P0A5J4 Link_out
Gene: glcB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

4. Regulator of ribonuclease activity A

Pharmacological action: unknown

Regulator of RNase E/rne, which inhibits the endonuclease activity and thereby leads to increase the half-life and abundance of RNAs. General modulator of RNA abundance. Does not have any methyltransferase activity

Organism class: bacterial
UniProt ID: P0A666 Link_out
Gene: Rv3853
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Transporters

1. Monocarboxylate transporter 4

Actions: substrate

Proton-linked monocarboxylate transporter. Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, branched-chain oxo acids derived from leucine, valine and isoleucine, and the ketone bodies acetoacetate, beta-hydroxybutyrate and acetate

UniProt ID: O15427 Link_out
Gene: SLC16A3 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Manning Fox JE, Meredith D, Halestrap AP: Characterisation of human monocarboxylate transporter 4 substantiates its role in lactic acid efflux from skeletal muscle. J Physiol. 2000 Dec 1;529 Pt 2:285-93. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:23