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targets (2)
for drugs
Identification
Name Hydroxyacetic Acid
Accession Number DB03085 (EXPT01629)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
Hydroxyethanoic Acid
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Keratolytic Agents
CAS number 79-14-1
Weight Average: 76.0514
Monoisotopic: 76.016043994
Chemical Formula C2H4O3
InChI Key InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Plain Text
IUPAC Name
2-hydroxyacetic acid
SMILES
OCC(O)=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 79.5 °C PhysProp
logP -1.11 HANSCH,C ET AL. (1995)
pKa 3.83 SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
Property Value Source
water solubility 6.08e+02 g/l ALOGPS
logP -1 ALOGPS
logP -1 ChemAxon
logS 0.9 ALOGPS
pKa (strongest acidic) 3.53 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
physiological charge -1 ChemAxon
hydrogen acceptor count 3 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 57.53 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 14.35 ChemAxon
polarizability 6.2 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C00160 Link_out
PubChem Compound 757 Link_out
PubChem Substance 46508186 Link_out
ChEBI 29805 Link_out
ChEMBL 29805 Link_out
HET GOA 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. Glucose-6-phosphate 1-dehydrogenase

Pharmacological action: unknown

Produces pentose sugars for nucleic acid synthesis and main producer of NADPH reducing power

Organism class: human
UniProt ID: P11413 Link_out
Gene: G6PD Link_out
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. Glycine oxidase

Pharmacological action: unknown

This deaminating oxidase catalyzes the oxidation of sarcosine (N-methylglycine), N-ethylglycine and glycine. Lower activities on D-alanine, D-valine, and D-proline are detected. Does not act on L-amino acids and other D-amino acids

Organism class: bacterial
UniProt ID: O31616 Link_out
Gene: thiO
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
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:21