Identification
- Generic Name
- alpha-D-glucose 6-phosphate
- DrugBank Accession Number
- DB02007
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for alpha-D-glucose 6-phosphate (DB02007)
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- 6-O-phosphono-α-D-glucopyranose
- alpha-D-Glucopyranose 6-phosphate
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UHexokinase-1 Not Available Humans UPhosphomannomutase/phosphoglucomutase Not Available Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) UMaltose-6'-phosphate glucosidase Not Available Bacillus subtilis (strain 168) UGlycogen phosphorylase, muscle form Not Available Humans UAlpha,alpha-trehalose-phosphate synthase [UDP-forming] Not Available Escherichia coli (strain K12) UGlutamine--fructose-6-phosphate aminotransferase [isomerizing] Not Available Escherichia coli (strain K12) U6-phospho-beta-glucosidase BglT Not Available Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) UGlucose-6-phosphate isomerase Not Available Humans UAldose reductase Not Available Humans - 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 hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Hexose phosphates
- Alternative Parents
- Monosaccharide phosphates / Monoalkyl phosphates / Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hemiacetal / Hexose phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- D-glucopyranose 6-phosphate (CHEBI:17665)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 03JQ7I74CO
- CAS number
- 15209-11-7
- InChI Key
- NBSCHQHZLSJFNQ-DVKNGEFBSA-N
- InChI
- InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
- IUPAC Name
- {[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
- SMILES
- O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1bg3 / 1cza / 1gpy / 1gz5 / 1hkb / 1mor / 1p5g / 1qha / 1u0f / 1u8x … show 58 more
Clinical Trials
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 31.4 mg/mL ALOGPS logP -2.1 ALOGPS logP -3.1 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 1.22 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 156.91 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 46.8 m3·mol-1 Chemaxon Polarizability 21 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9918 Blood Brain Barrier + 0.8315 Caco-2 permeable - 0.7235 P-glycoprotein substrate Non-substrate 0.6687 P-glycoprotein inhibitor I Non-inhibitor 0.8225 P-glycoprotein inhibitor II Non-inhibitor 0.9931 Renal organic cation transporter Non-inhibitor 0.9062 CYP450 2C9 substrate Non-substrate 0.8113 CYP450 2D6 substrate Non-substrate 0.8365 CYP450 3A4 substrate Non-substrate 0.574 CYP450 1A2 substrate Non-inhibitor 0.9182 CYP450 2C9 inhibitor Non-inhibitor 0.9049 CYP450 2D6 inhibitor Non-inhibitor 0.9189 CYP450 2C19 inhibitor Non-inhibitor 0.8947 CYP450 3A4 inhibitor Non-inhibitor 0.9695 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9722 Ames test Non AMES toxic 0.7495 Carcinogenicity Non-carcinogens 0.9233 Biodegradation Ready biodegradable 0.5726 Rat acute toxicity 2.1534 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9149 hERG inhibition (predictor II) Non-inhibitor 0.8981
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Mannokinase activity
- Specific Function
- Not Available
- Gene Name
- HK1
- Uniprot ID
- P19367
- Uniprot Name
- Hexokinase-1
- Molecular Weight
- 102485.1 Da
References
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Unknown
- General Function
- Phosphomannomutase activity
- Specific Function
- Highly reversible phosphoryltransferase. The phosphomannomutase activity produces a precursor for alginate polymerization, the alginate layer causes a mucoid phenotype and provides a protective bar...
- Gene Name
- algC
- Uniprot ID
- P26276
- Uniprot Name
- Phosphomannomutase/phosphoglucomutase
- Molecular Weight
- 50295.09 Da
References
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Oxidoreductase activity, acting on the ch-oh group of donors, nad or nadp as acceptor
- Specific Function
- Hydrolyzes maltose-6'-phosphate and trehalose-6'-phosphate. Is involved in the catabolism of alpha-glycosides accumulated via a phosphoenolpyruvate-dependent maltose phosphotransferase system (PEP-...
- Gene Name
- glvA
- Uniprot ID
- P54716
- Uniprot Name
- Maltose-6'-phosphate glucosidase
- Molecular Weight
- 50513.14 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Pyridoxal phosphate binding
- Specific Function
- Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known ...
- Gene Name
- PYGM
- Uniprot ID
- P11217
- Uniprot Name
- Glycogen phosphorylase, muscle form
- Molecular Weight
- 97091.265 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
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Alpha,alpha-trehalose-phosphate synthase (udp-forming) activity
- Specific Function
- Catalyzes the transfer of glucose from UDP-glucose to glucose-6-phosphate to form alpha,alpha-1,1 trehalose-6-phosphate. Acts with retention of the anomeric configuration of the UDP-sugar donor. Es...
- Gene Name
- otsA
- Uniprot ID
- P31677
- Uniprot Name
- Alpha,alpha-trehalose-phosphate synthase [UDP-forming]
- Molecular Weight
- 53610.655 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Glutamine-fructose-6-phosphate transaminase (isomerizing) activity
- Specific Function
- Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
- Gene Name
- glmS
- Uniprot ID
- P17169
- Uniprot Name
- Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
- Molecular Weight
- 66893.7 Da
References
- Kind
- Protein
- Organism
- Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
- Pharmacological action
- Unknown
- General Function
- Oxidoreductase activity, acting on the ch-oh group of donors, nad or nadp as acceptor
- Specific Function
- Hydrolyzes cellobiose 6'-phosphate into glucose 6-phosphate (Glc6P) and glucose.
- Gene Name
- bglT
- Uniprot ID
- Q9X108
- Uniprot Name
- 6-phospho-beta-glucosidase BglT
- Molecular Weight
- 47626.38 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Besides it's role as a glycolytic enzyme, mammalian GPI can function as a tumor-secreted cytokine and an angiogenic factor (AMF) that stimulates endothelial cell motility. GPI is also a neurotrophi...
- Gene Name
- GPI
- Uniprot ID
- P06744
- Uniprot Name
- Glucose-6-phosphate isomerase
- Molecular Weight
- 63146.745 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
- Glyceraldehyde oxidoreductase activity
- Specific Function
- Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
- Gene Name
- AKR1B1
- Uniprot ID
- P15121
- Uniprot Name
- Aldose reductase
- Molecular Weight
- 35853.125 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52