Identification
- Generic Name
- Adenosine-5'-ditungstate
- DrugBank Accession Number
- DB02183
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Adenosine-5'-ditungstate (DB02183)
- Weight
- Average: 732.94
Monoisotopic: 732.983754 - Chemical Formula
- C10H15N5O10W2
- 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 UHistidine triad nucleotide-binding protein 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- OIACDJFRUAAXOT-UHFFFAOYSA-K
- InChI
- InChI=1S/C10H12N5O4.3H2O.3O.2W/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);3*1H2;;;;;/q-1;;;;;;;2*+2/p-3
- IUPAC Name
- 5-[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1,3-dioxo-2,4-dioxa-1,3-ditungstapentane-1,1,3-triol
- SMILES
- NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1
References
- General References
- Not Available
- External Links
- PDB Entries
- 1kpe
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 10.4 mg/mL ALOGPS logP -1.2 ALOGPS logP -5.5 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 2.2 Chemaxon pKa (Strongest Basic) 4.93 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 232.6 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 73.91 m3·mol-1 Chemaxon Polarizability 36.22 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7709 Blood Brain Barrier + 0.8931 Caco-2 permeable - 0.7426 P-glycoprotein substrate Non-substrate 0.6608 P-glycoprotein inhibitor I Non-inhibitor 0.9022 P-glycoprotein inhibitor II Non-inhibitor 0.9763 Renal organic cation transporter Non-inhibitor 0.9545 CYP450 2C9 substrate Non-substrate 0.8545 CYP450 2D6 substrate Non-substrate 0.8329 CYP450 3A4 substrate Non-substrate 0.5654 CYP450 1A2 substrate Non-inhibitor 0.8822 CYP450 2C9 inhibitor Non-inhibitor 0.9265 CYP450 2D6 inhibitor Non-inhibitor 0.9037 CYP450 2C19 inhibitor Non-inhibitor 0.918 CYP450 3A4 inhibitor Non-inhibitor 0.9364 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9724 Ames test Non AMES toxic 0.8294 Carcinogenicity Non-carcinogens 0.9042 Biodegradation Not ready biodegradable 0.9829 Rat acute toxicity 2.4443 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9758 hERG inhibition (predictor II) Non-inhibitor 0.8101
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein kinase c binding
- Specific Function
- Hydrolyzes purine nucleotide phosphoramidates with a single phosphate group, including adenosine 5'monophosphoramidate (AMP-NH2), adenosine 5'monophosphomorpholidate (AMP-morpholidate) and guanosin...
- Gene Name
- HINT1
- Uniprot ID
- P49773
- Uniprot Name
- Histidine triad nucleotide-binding protein 1
- Molecular Weight
- 13801.815 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52