Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- D-glucitol 6-phosphate
- DrugBank Accession Number
- DB02548
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for D-glucitol 6-phosphate (DB02548)
- Weight
- Average: 262.1517
Monoisotopic: 262.04536859 - Chemical Formula
- C6H15O9P
- Synonyms
- D-Glucitol, 6-(dihydrogen phosphate)
- D-Sorbitol 6-phosphate
- D-sorbitol-6-phosphate
- Sorbitol 6-phosphate
- Sorbitol-6-phosphate
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UGlucose-6-phosphate isomerase 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
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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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Monosaccharide phosphates
- Alternative Parents
- Monoalkyl phosphates / Secondary alcohols / Polyols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative / Phosphoric acid ester / Polyol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- glucitol phosphate, alditol 6-phosphate (CHEBI:17044)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 20479-58-7
- InChI Key
- GACTWZZMVMUKNG-SLPGGIOYSA-N
- InChI
- InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
- IUPAC Name
- {[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid
- SMILES
- OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1xtb / 2cxq / 2gc1 / 3ctl / 4kxu / 4ly9 / 4mqu / 4mro / 4msu / 4ohk … show 11 more
Clinical Trials
- Clinical Trials
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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 26.6 mg/mL ALOGPS logP -2.3 ALOGPS logP -3.9 Chemaxon logS -0.99 ALOGPS pKa (Strongest Acidic) 1.49 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 167.91 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 49.28 m3·mol-1 Chemaxon Polarizability 21.66 Å3 Chemaxon Number of Rings 0 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 - 0.9284 Blood Brain Barrier + 0.7417 Caco-2 permeable - 0.7546 P-glycoprotein substrate Non-substrate 0.6756 P-glycoprotein inhibitor I Non-inhibitor 0.8631 P-glycoprotein inhibitor II Non-inhibitor 0.9619 Renal organic cation transporter Non-inhibitor 0.9378 CYP450 2C9 substrate Non-substrate 0.8276 CYP450 2D6 substrate Non-substrate 0.8347 CYP450 3A4 substrate Non-substrate 0.6544 CYP450 1A2 substrate Non-inhibitor 0.8969 CYP450 2C9 inhibitor Non-inhibitor 0.8992 CYP450 2D6 inhibitor Non-inhibitor 0.9168 CYP450 2C19 inhibitor Non-inhibitor 0.8747 CYP450 3A4 inhibitor Non-inhibitor 0.9491 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9654 Ames test Non AMES toxic 0.9098 Carcinogenicity Non-carcinogens 0.6904 Biodegradation Not ready biodegradable 0.5477 Rat acute toxicity 2.0129 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9314 hERG inhibition (predictor II) Non-inhibitor 0.8634
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 158.7552778 predictedDarkChem Lite v0.1.0 [M-H]- 149.28697 predictedDeepCCS 1.0 (2019) [M+H]+ 157.9102778 predictedDarkChem Lite v0.1.0 [M+H]+ 151.683 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.0192778 predictedDarkChem Lite v0.1.0 [M+Na]+ 157.59552 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- In the cytoplasm, catalyzes the conversion of glucose-6-phosphate to fructose-6-phosphate, the second step in glycolysis, and the reverse reaction during gluconeogenesis (PubMed:28803808). Besides it's role as a glycolytic enzyme, also acts as a secreted cytokine: acts as an angiogenic factor (AMF) that stimulates endothelial cell motility (PubMed:11437381). Acts as a neurotrophic factor, neuroleukin, for spinal and sensory neurons (PubMed:11004567, PubMed:3352745). It is secreted by lectin-stimulated T-cells and induces immunoglobulin secretion (PubMed:11004567, PubMed:3352745)
- Specific Function
- carbohydrate derivative binding
- 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]
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:43