Adenosine monotungstate
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Identification
- Generic Name
- Adenosine monotungstate
- DrugBank Accession Number
- DB02373
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 500.09
Monoisotopic: 500.04025538 - Chemical Formula
- C10H14N5O7W
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UBis(5'-adenosyl)-triphosphatase 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 organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Purine nucleosides
- Sub Class
- Not Available
- Direct Parent
- Purine nucleosides
- Alternative Parents
- Glycosylamines / 6-aminopurines / Pentoses / Aminopyrimidines and derivatives / Imidolactams / N-substituted imidazoles / Tetrahydrofurans / Heteroaromatic compounds / 1,2-diols / Secondary alcohols show 7 more
- Substituents
- 1,2-diol / 6-aminopurine / Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- FJSJQPRHXPUMLC-LRDMJOKZSA-L
- InChI
- InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7+,10+;;;;/m0..../s1
- IUPAC Name
- {[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(oxo)tungstendiol
- SMILES
- [H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])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 Water Solubility 15.8 mg/mL ALOGPS logP -1.2 ALOGPS logP -4.4 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 2.67 Chemaxon pKa (Strongest Basic) 3.96 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 186.07 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 68.55 m3·mol-1 Chemaxon Polarizability 30.45 Å3 Chemaxon Number of Rings 3 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 + 0.5509 Blood Brain Barrier + 0.9358 Caco-2 permeable - 0.7349 P-glycoprotein substrate Non-substrate 0.6793 P-glycoprotein inhibitor I Non-inhibitor 0.915 P-glycoprotein inhibitor II Non-inhibitor 0.9852 Renal organic cation transporter Non-inhibitor 0.9438 CYP450 2C9 substrate Non-substrate 0.8638 CYP450 2D6 substrate Non-substrate 0.8292 CYP450 3A4 substrate Non-substrate 0.5445 CYP450 1A2 substrate Non-inhibitor 0.893 CYP450 2C9 inhibitor Non-inhibitor 0.9286 CYP450 2D6 inhibitor Non-inhibitor 0.9194 CYP450 2C19 inhibitor Non-inhibitor 0.9106 CYP450 3A4 inhibitor Non-inhibitor 0.931 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9579 Ames test Non AMES toxic 0.7944 Carcinogenicity Non-carcinogens 0.9123 Biodegradation Not ready biodegradable 0.99 Rat acute toxicity 2.0704 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9788 hERG inhibition (predictor II) Non-inhibitor 0.8577
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsBis(5'-adenosyl)-triphosphatase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Cleaves P(1)-P(3)-bis(5'-adenosyl) triphosphate (Ap3A) to yield AMP and ADP. Can also hydrolyze P(1)-P(4)-bis(5'-adenosyl) tetraphosphate (Ap4A), but has extremely low activity with ATP. Modulates ...
- Gene Name
- FHIT
- Uniprot ID
- P49789
- Uniprot Name
- Bis(5'-adenosyl)-triphosphatase
- Molecular Weight
- 16858.11 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:15