Cyclo-Tetrametavanadate
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Identification
- Generic Name
- Cyclo-Tetrametavanadate
- DrugBank Accession Number
- DB02147
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 395.7588
Monoisotopic: 395.714830164 - Chemical Formula
- O12V4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMono-ADP-ribosyltransferase C3 Not Available Clostridium botulinum D phage - 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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- 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 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
- Metalloheterocyclic compounds / Inorganic salts / Inorganic oxides
- Substituents
- Inorganic oxide / Inorganic salt / Metalloheterocycle / Orthovanadate
- Molecular Framework
- Not Available
- External Descriptors
- vanadium oxoanion (CHEBI:46272)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- ACTPEXQBEHJTBO-UHFFFAOYSA-N
- InChI
- InChI=1S/12O.4V/q;;;;;;;;4*-1;;;;
- IUPAC Name
- tetraoxocyclotetravanadoxane-2,4,6,8-tetrakis(olate)
- SMILES
- [O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1
References
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 logP -2.5 Chemaxon pKa (Strongest Acidic) 2.4 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 197.44 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 16.94 m3·mol-1 Chemaxon Polarizability 20 Å3 Chemaxon Number of Rings 1 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 + 0.5815 Blood Brain Barrier + 0.9847 Caco-2 permeable - 0.5834 P-glycoprotein substrate Non-substrate 0.8147 P-glycoprotein inhibitor I Non-inhibitor 0.9323 P-glycoprotein inhibitor II Non-inhibitor 0.9814 Renal organic cation transporter Non-inhibitor 0.9492 CYP450 2C9 substrate Non-substrate 0.8748 CYP450 2D6 substrate Non-substrate 0.8276 CYP450 3A4 substrate Non-substrate 0.6912 CYP450 1A2 substrate Non-inhibitor 0.793 CYP450 2C9 inhibitor Non-inhibitor 0.8495 CYP450 2D6 inhibitor Non-inhibitor 0.9138 CYP450 2C19 inhibitor Non-inhibitor 0.8316 CYP450 3A4 inhibitor Non-inhibitor 0.918 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9874 Ames test Non AMES toxic 0.7618 Carcinogenicity Non-carcinogens 0.7645 Biodegradation Not ready biodegradable 0.8169 Rat acute toxicity 2.6313 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8398 hERG inhibition (predictor II) Non-inhibitor 0.979
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsMono-ADP-ribosyltransferase C3
- Kind
- Protein
- Organism
- Clostridium botulinum D phage
- Pharmacological action
- Unknown
- General Function
- ADP-ribosylates eukaryotic Rho and Rac proteins on an asparagine residue.
- Specific Function
- NAD+-protein ADP-ribosyltransferase activity
- Gene Name
- C3
- Uniprot ID
- P15879
- Uniprot Name
- Mono-ADP-ribosyltransferase C3
- Molecular Weight
- 27840.92 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52