Identification
- Generic Name
- 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium
- DrugBank Accession Number
- DB02681
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium (DB02681)
- Weight
- Average: 660.5791
Monoisotopic: 660.511123543 - Chemical Formula
- O19V7
- 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 UUridine phosphorylase Not Available Escherichia coli (strain K12) UCyclin-dependent kinases regulatory subunit 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as miscellaneous orthovanadates. These are inorganic compounds in which the largest metallic oxoanion is orthovanadate, to which either no atom or a non metal atom is bonded.
- Kingdom
- Inorganic compounds
- Super Class
- Mixed metal/non-metal compounds
- Class
- Miscellaneous mixed metal/non-metals
- Sub Class
- Miscellaneous metallic oxoanionic compounds
- Direct Parent
- Miscellaneous orthovanadates
- Alternative Parents
- Inorganic salts / Inorganic oxides
- Substituents
- Inorganic oxide / Inorganic salt / Orthovanadate
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- ONZDNYIINYVFKD-UHFFFAOYSA-N
- InChI
- InChI=1S/19O.7V/q;;;;;;;;;;;;;;;2*-1;2*+1;;;;;;;
- IUPAC Name
- 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium
- SMILES
- [O-][V](=O)[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V]([O-])=O)[V](=O)(=O)=O)[V](=O)(=O)=O
References
- General References
- Not Available
- External Links
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 logP -5.5 Chemaxon pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) -7.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 313.67 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 50.57 m3·mol-1 Chemaxon Polarizability 33.91 Å3 Chemaxon Number of Rings 0 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 - 0.5984 Blood Brain Barrier + 0.9853 Caco-2 permeable - 0.6579 P-glycoprotein substrate Non-substrate 0.8684 P-glycoprotein inhibitor I Non-inhibitor 0.949 P-glycoprotein inhibitor II Non-inhibitor 0.9596 Renal organic cation transporter Non-inhibitor 0.9467 CYP450 2C9 substrate Non-substrate 0.8832 CYP450 2D6 substrate Non-substrate 0.8533 CYP450 3A4 substrate Non-substrate 0.7131 CYP450 1A2 substrate Non-inhibitor 0.8782 CYP450 2C9 inhibitor Non-inhibitor 0.8658 CYP450 2D6 inhibitor Non-inhibitor 0.9298 CYP450 2C19 inhibitor Non-inhibitor 0.8442 CYP450 3A4 inhibitor Non-inhibitor 0.9592 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9604 Ames test Non AMES toxic 0.829 Carcinogenicity Carcinogens 0.6414 Biodegradation Ready biodegradable 0.7295 Rat acute toxicity 2.6075 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.858 hERG inhibition (predictor II) Non-inhibitor 0.9717
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
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Uridine phosphorylase activity
- Specific Function
- Catalyzes the reversible phosphorylytic cleavage of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. The produced molecules are then utilized as carbon and energy sources ...
- Gene Name
- udp
- Uniprot ID
- P12758
- Uniprot Name
- Uridine phosphorylase
- Molecular Weight
- 27158.88 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Cyclin-dependent protein serine/threonine kinase regulator activity
- Specific Function
- Binds to the catalytic subunit of the cyclin dependent kinases and is essential for their biological function.
- Gene Name
- CKS1B
- Uniprot ID
- P61024
- Uniprot Name
- Cyclin-dependent kinases regulatory subunit 1
- Molecular Weight
- 9660.14 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 13:45