Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- 2-Phosphoglycolic Acid
- DrugBank Accession Number
- DB02726
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 2-Phosphoglycolic Acid (DB02726)
- Weight
- Average: 156.0313
Monoisotopic: 155.982374404 - Chemical Formula
- C2H5O6P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism U2-deoxyglucose-6-phosphate phosphatase Not Available Escherichia coli O157:H7 UBeta-enolase Not Available Humans UPyruvate kinase PKLR Not Available Humans UTriosephosphate isomerase Not Available Plasmodium falciparum UGlucosamine-6-phosphate deaminase 1 Not Available Bacillus subtilis (strain 168) UATP-dependent 6-phosphofructokinase Not Available Geobacillus stearothermophilus UTriosephosphate isomerase Not Available Humans UPyruvate kinase PKM Not Available Humans UTriosephosphate isomerase Not Available Geobacillus stearothermophilus UMethylglyoxal synthase Not Available Shigella flexneri UGamma-enolase Not Available Humans UTriosephosphate isomerase Not Available Vibrio marinus UPhospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive Not Available Escherichia coli (strain K12) - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic phosphoric acids and derivatives
- Sub Class
- Phosphate esters
- Direct Parent
- Monoalkyl phosphates
- Alternative Parents
- Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Monoalkyl phosphate / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- carboxyalkyl phosphate (CHEBI:17150)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- H8593JOP13
- CAS number
- 13147-57-4
- InChI Key
- ASCFNMCAHFUBCO-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
- IUPAC Name
- 2-(phosphonooxy)acetic acid
- SMILES
- OC(=O)COP(O)(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000816
- KEGG Compound
- C00988
- PubChem Compound
- 529
- PubChem Substance
- 46506266
- ChemSpider
- 514
- ChEBI
- 17150
- ChEMBL
- CHEMBL47181
- ZINC
- ZINC000003869735
- PDBe Ligand
- PGA
- PDB Entries
- 1a3w / 1a3x / 1amk / 1aw1 / 1btm / 1egh / 1g5k / 1g5l / 1gg1 / 1gj1 … show 67 more
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 18.4 mg/mL ALOGPS logP -2.3 ALOGPS logP -1.2 Chemaxon logS -0.93 ALOGPS pKa (Strongest Acidic) 1.14 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 104.06 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 25.22 m3·mol-1 Chemaxon Polarizability 10.67 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.8895 Blood Brain Barrier + 0.938 Caco-2 permeable - 0.761 P-glycoprotein substrate Non-substrate 0.7748 P-glycoprotein inhibitor I Non-inhibitor 0.9218 P-glycoprotein inhibitor II Non-inhibitor 0.9682 Renal organic cation transporter Non-inhibitor 0.9571 CYP450 2C9 substrate Non-substrate 0.8404 CYP450 2D6 substrate Non-substrate 0.8621 CYP450 3A4 substrate Non-substrate 0.6975 CYP450 1A2 substrate Non-inhibitor 0.9397 CYP450 2C9 inhibitor Non-inhibitor 0.9344 CYP450 2D6 inhibitor Non-inhibitor 0.9295 CYP450 2C19 inhibitor Non-inhibitor 0.9288 CYP450 3A4 inhibitor Non-inhibitor 0.9725 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9918 Ames test Non AMES toxic 0.8514 Carcinogenicity Non-carcinogens 0.6677 Biodegradation Ready biodegradable 0.5716 Rat acute toxicity 1.8094 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9836 hERG inhibition (predictor II) Non-inhibitor 0.9378
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 126.6575306 predictedDarkChem Lite v0.1.0 [M-H]- 127.1346306 predictedDarkChem Lite v0.1.0 [M-H]- 118.94966 predictedDeepCCS 1.0 (2019) [M+H]+ 121.75693 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.39127 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli O157:H7
- Pharmacological action
- Unknown
- General Function
- Sugar-phosphate phosphohydrolase that catalyzes the dephosphorylation of D-mannitol 1-phosphate and D-sorbitol 6-phosphate. Also catalyzes the dephosphorylation of 2-deoxyglucose 6-phosphate (2dGlu6P); this is a biologically important activity in vivo since it contributes to the elimination of this toxic compound and plays an important role in the resistance of E.coli to 2-deoxyglucose.
- Specific Function
- 2-deoxyglucose-6-phosphatase activity
- Gene Name
- yniC
- Uniprot ID
- Q7ADF8
- Uniprot Name
- 2-deoxyglucose-6-phosphate phosphatase
- Molecular Weight
- 24328.925 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Glycolytic enzyme that catalyzes the conversion of 2-phosphoglycerate to phosphoenolpyruvate. Appears to have a function in striated muscle development and regeneration
- Specific Function
- magnesium ion binding
- Gene Name
- ENO3
- Uniprot ID
- P13929
- Uniprot Name
- Beta-enolase
- Molecular Weight
- 46986.485 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Pyruvate kinase that catalyzes the conversion of phosphoenolpyruvate to pyruvate with the synthesis of ATP, and which plays a key role in glycolysis
- Specific Function
- ATP binding
- Gene Name
- PKLR
- Uniprot ID
- P30613
- Uniprot Name
- Pyruvate kinase PKLR
- Molecular Weight
- 61829.575 Da
References
- Kind
- Protein
- Organism
- Plasmodium falciparum
- Pharmacological action
- Unknown
- General Function
- Catalyzes the interconversion of glyceraldehyde 3-phosphate and dihydroxyacetone phosphate in the glycolytic and gluconeogenic pathways.
- Specific Function
- identical protein binding
- Gene Name
- TPI
- Uniprot ID
- Q07412
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 27934.505 Da
References
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reversible isomerization-deamination of glucosamine 6-phosphate (GlcN6P) to form fructose 6-phosphate (Fru6P) and ammonium ion.
- Specific Function
- glucosamine-6-phosphate deaminase activity
- Gene Name
- nagB
- Uniprot ID
- O35000
- Uniprot Name
- Glucosamine-6-phosphate deaminase 1
- Molecular Weight
- 26991.065 Da
References
- Kind
- Protein
- Organism
- Geobacillus stearothermophilus
- Pharmacological action
- Unknown
- General Function
- Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.
- Specific Function
- 6-phosphofructokinase activity
- Gene Name
- pfkA
- Uniprot ID
- P00512
- Uniprot Name
- ATP-dependent 6-phosphofructokinase
- Molecular Weight
- 34118.62 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Triosephosphate isomerase is an extremely efficient metabolic enzyme that catalyzes the interconversion between dihydroxyacetone phosphate (DHAP) and D-glyceraldehyde-3-phosphate (G3P) in glycolysis and gluconeogenesis
- Specific Function
- methylglyoxal synthase activity
- Gene Name
- TPI1
- Uniprot ID
- P60174
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 26669.33 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Catalyzes the final rate-limiting step of glycolysis by mediating the transfer of a phosphoryl group from phosphoenolpyruvate (PEP) to ADP, generating ATP (PubMed:15996096, PubMed:1854723, PubMed:20847263). The ratio between the highly active tetrameric form and nearly inactive dimeric form determines whether glucose carbons are channeled to biosynthetic processes or used for glycolytic ATP production (PubMed:15996096, PubMed:1854723, PubMed:20847263). The transition between the 2 forms contributes to the control of glycolysis and is important for tumor cell proliferation and survival (PubMed:15996096, PubMed:1854723, PubMed:20847263)
- Specific Function
- ATP binding
- Gene Name
- PKM
- Uniprot ID
- P14618
- Uniprot Name
- Pyruvate kinase PKM
- Molecular Weight
- 57936.38 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Geobacillus stearothermophilus
- Pharmacological action
- Unknown
- General Function
- Involved in the gluconeogenesis. Catalyzes stereospecifically the conversion of dihydroxyacetone phosphate (DHAP) to D-glyceraldehyde-3-phosphate (G3P).
- Specific Function
- triose-phosphate isomerase activity
- Gene Name
- tpiA
- Uniprot ID
- P00943
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 27205.89 Da
References
- Kind
- Protein
- Organism
- Shigella flexneri
- Pharmacological action
- Unknown
- General Function
- Catalyzes the formation of methylglyoxal from dihydroxyacetone phosphate.
- Specific Function
- methylglyoxal synthase activity
- Gene Name
- mgsA
- Uniprot ID
- P0A733
- Uniprot Name
- Methylglyoxal synthase
- Molecular Weight
- 16918.435 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Has neurotrophic and neuroprotective properties on a broad spectrum of central nervous system (CNS) neurons. Binds, in a calcium-dependent manner, to cultured neocortical neurons and promotes cell survival (By similarity)
- Specific Function
- magnesium ion binding
- Gene Name
- ENO2
- Uniprot ID
- P09104
- Uniprot Name
- Gamma-enolase
- Molecular Weight
- 47268.125 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Vibrio marinus
- Pharmacological action
- Unknown
- General Function
- Involved in the gluconeogenesis. Catalyzes stereospecifically the conversion of dihydroxyacetone phosphate (DHAP) to D-glyceraldehyde-3-phosphate (G3P).
- Specific Function
- triose-phosphate isomerase activity
- Gene Name
- tpiA
- Uniprot ID
- P50921
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 26739.995 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Stereospecific condensation of phosphoenolpyruvate (PEP) and D-erythrose-4-phosphate (E4P) giving rise to 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP).
- Specific Function
- 3-deoxy-7-phosphoheptulonate synthase activity
- Gene Name
- aroG
- Uniprot ID
- P0AB91
- Uniprot Name
- Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
- Molecular Weight
- 38009.165 Da
References
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:45