Identification
- Generic Name
- Trivanadate
- DrugBank Accession Number
- DB04219
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Trivanadate (DB04219)
- Weight
- Average: 281.8276
Monoisotopic: 281.799033033 - Chemical Formula
- HO8V3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- Not Available
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- YEAGUQJQPBKCCU-UHFFFAOYSA-M
- InChI
- InChI=1S/H2O.7O.3V/h1H2;;;;;;;;;;/q;;;;;;;-1;;;+1/p-1
- IUPAC Name
- 3-hydroxy-3,5,5-trioxotrivanadoxan-1-oylolate
- SMILES
- O[V](=O)(O[V]([O-])=O)O[V](=O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1h2f
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 -1.9 Chemaxon pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) -5.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 130.03 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 12.48 m3·mol-1 Chemaxon Polarizability 14.53 Å3 Chemaxon Number of Rings 0 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 - 0.8315 Blood Brain Barrier + 0.9284 Caco-2 permeable - 0.7645 P-glycoprotein substrate Non-substrate 0.8102 P-glycoprotein inhibitor I Non-inhibitor 0.9592 P-glycoprotein inhibitor II Non-inhibitor 0.9744 Renal organic cation transporter Non-inhibitor 0.9479 CYP450 2C9 substrate Non-substrate 0.8165 CYP450 2D6 substrate Non-substrate 0.8503 CYP450 3A4 substrate Non-substrate 0.7324 CYP450 1A2 substrate Non-inhibitor 0.8951 CYP450 2C9 inhibitor Non-inhibitor 0.8839 CYP450 2D6 inhibitor Non-inhibitor 0.9244 CYP450 2C19 inhibitor Non-inhibitor 0.8733 CYP450 3A4 inhibitor Non-inhibitor 0.9219 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9478 Ames test Non AMES toxic 0.8491 Carcinogenicity Carcinogens 0.5945 Biodegradation Not ready biodegradable 0.8801 Rat acute toxicity 1.9628 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9319 hERG inhibition (predictor II) Non-inhibitor 0.9494
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52