Explore a selection of our essential drug information below, or:
Overview
- DrugBank ID
- DB04397
- Type
- Small Molecule
- Clinical Trials
- Phase 0
- 0
- Phase 1
- 0
- Phase 2
- 0
- Phase 3
- 0
- Phase 4
- 0
Identification
- Generic Name
- Alpha-D-Glucose-1-Phosphate-6-Vanadate
- DrugBank Accession Number
- DB04397
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Alpha-D-Glucose-1-Phosphate-6-Vanadate (DB04397)
- Weight
- Average: 359.0755
Monoisotopic: 358.958426067 - Chemical Formula
- C6H13O12PV
- Synonyms
- Not Available
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 UPhosphoglucomutase-1 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
- 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
- Hexoses / Monoalkyl phosphates / Oxanes / Organic orthovanadates / Secondary alcohols / Polyols / Oxacyclic compounds / Organic transition metal salts / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hexose monosaccharide / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic metal salt / Organic orthovanadate / Organic oxide
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- SYRDAPWACIANBN-DPXSRCRQSA-M
- InChI
- InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6+;;;;/m0..../s1
- IUPAC Name
- {[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}vanadiumoylol
- SMILES
- O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O
References
- General References
- Not Available
- External Links
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 9.16 mg/mL ALOGPS logP -2.1 ALOGPS logP -5.9 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) -2 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 200.28 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 51.03 m3·mol-1 Chemaxon Polarizability 26.24 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 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 - 0.9957 Blood Brain Barrier + 0.842 Caco-2 permeable - 0.7204 P-glycoprotein substrate Non-substrate 0.6596 P-glycoprotein inhibitor I Non-inhibitor 0.8045 P-glycoprotein inhibitor II Non-inhibitor 0.9904 Renal organic cation transporter Non-inhibitor 0.9125 CYP450 2C9 substrate Non-substrate 0.8175 CYP450 2D6 substrate Non-substrate 0.8338 CYP450 3A4 substrate Non-substrate 0.5803 CYP450 1A2 substrate Non-inhibitor 0.9038 CYP450 2C9 inhibitor Non-inhibitor 0.886 CYP450 2D6 inhibitor Non-inhibitor 0.9124 CYP450 2C19 inhibitor Non-inhibitor 0.8769 CYP450 3A4 inhibitor Non-inhibitor 0.9684 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9829 Ames test Non AMES toxic 0.7292 Carcinogenicity Non-carcinogens 0.9167 Biodegradation Ready biodegradable 0.6315 Rat acute toxicity 2.2511 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9011 hERG inhibition (predictor II) Non-inhibitor 0.8974
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reversible isomerization of alpha-D-glucose 1-phosphate to alpha-D-glucose 6-phosphate (PubMed:15378030, PubMed:25288802). The mechanism proceeds via the intermediate compound alpha-D-glucose 1,6-bisphosphate (Probable) (PubMed:25288802). This enzyme participates in both the breakdown and synthesis of glucose (PubMed:17924679, PubMed:25288802)
- Specific Function
- magnesium ion binding
- Gene Name
- PGM1
- Uniprot ID
- P36871
- Uniprot Name
- Phosphoglucomutase-1
- Molecular Weight
- 61448.575 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 June 12, 2020 16:52