Uridine 5'-triphosphate
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Identification
- Generic Name
- Uridine 5'-triphosphate
- DrugBank Accession Number
- DB04005
- Background
Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety.
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 484.1411
Monoisotopic: 483.968527356 - Chemical Formula
- C9H15N2O15P3
- Synonyms
- Uridine triphosphate
- External IDs
- INS-316
- INS316
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UUridine-cytidine kinase 2 Not Available Humans UGenome polyprotein Not Available HCV UGenome polyprotein Not Available Hepatitis C virus genotype 1b (isolate BK) - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleotides
- Sub Class
- Pyrimidine ribonucleotides
- Direct Parent
- Pyrimidine ribonucleoside triphosphates
- Alternative Parents
- Pentose phosphates / Glycosylamines / Monosaccharide phosphates / Pyrimidones / Monoalkyl phosphates / Hydroxypyrimidines / Hydropyrimidines / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols show 7 more
- Substituents
- 1,2-diol / Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Hydroxypyrimidine show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyrimidine ribonucleoside 5'-triphosphate, uridine 5'-phosphate (CHEBI:15713) / Ribonucleotides (C00075)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- UT0S826Z60
- CAS number
- 63-39-8
- InChI Key
- PGAVKCOVUIYSFO-XVFCMESISA-N
- InChI
- InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- IUPAC Name
- ({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- SMILES
- O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000285
- KEGG Compound
- C00075
- PubChem Compound
- 6133
- PubChem Substance
- 46507277
- ChemSpider
- 5903
- BindingDB
- 50118213
- ChEBI
- 15713
- ChEMBL
- CHEMBL336296
- ZINC
- ZINC000003861755
- Therapeutic Targets Database
- DNC001492
- PDBe Ligand
- UTP
- Wikipedia
- Uridine_triphosphate
- PDB Entries
- 1gx6 / 1nb6 / 1r8c / 1r9s / 1twf / 1uei / 1v34 / 2b51 / 2b56 / 2bnf … show 118 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Lung Cancer 1 2 Completed Diagnostic Lung Cancer 1 2 Terminated Not Available Interstitial Lung Disease 1 0 Completed Basic Science Receptor Blockade 1 Not Available Unknown Status Diagnostic Lung Cancer 1
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 8.37 mg/mL ALOGPS logP -0.07 ALOGPS logP -3.4 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 0.9 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 258.92 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 85.18 m3·mol-1 Chemaxon Polarizability 35.38 Å3 Chemaxon Number of Rings 2 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 - 0.9556 Blood Brain Barrier + 0.7546 Caco-2 permeable - 0.8073 P-glycoprotein substrate Non-substrate 0.7589 P-glycoprotein inhibitor I Non-inhibitor 0.8744 P-glycoprotein inhibitor II Non-inhibitor 0.9663 Renal organic cation transporter Non-inhibitor 0.9495 CYP450 2C9 substrate Non-substrate 0.6515 CYP450 2D6 substrate Non-substrate 0.853 CYP450 3A4 substrate Non-substrate 0.5684 CYP450 1A2 substrate Non-inhibitor 0.8879 CYP450 2C9 inhibitor Non-inhibitor 0.9131 CYP450 2D6 inhibitor Non-inhibitor 0.9021 CYP450 2C19 inhibitor Non-inhibitor 0.8878 CYP450 3A4 inhibitor Non-inhibitor 0.9193 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9549 Ames test Non AMES toxic 0.897 Carcinogenicity Non-carcinogens 0.9069 Biodegradation Ready biodegradable 0.5964 Rat acute toxicity 2.1803 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9708 hERG inhibition (predictor II) Non-inhibitor 0.7504
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-056r-6985400000-049f49dc11e3cece73cd Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0004900000-2ad7fe5a71de5930f53c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-19493043ed7b09c37774 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fb9-0189100000-9f2f4b50b370f3fc32af Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0019-2109300000-cd1a6975fb56dab5a81a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0901000000-8f551212a770cb6f3ca2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-057i-9613300000-93e51241f0f312e2c1f1 1H NMR Spectrum 1D NMR Not Applicable 13C NMR Spectrum 1D NMR Not Applicable Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.856068 predictedDarkChem Lite v0.1.0 [M-H]- 213.643668 predictedDarkChem Lite v0.1.0 [M-H]- 216.685268 predictedDarkChem Lite v0.1.0 [M-H]- 169.5236 predictedDeepCCS 1.0 (2019) [M+H]+ 217.693168 predictedDarkChem Lite v0.1.0 [M+H]+ 213.568668 predictedDarkChem Lite v0.1.0 [M+H]+ 219.558068 predictedDarkChem Lite v0.1.0 [M+H]+ 172.82559 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.278268 predictedDarkChem Lite v0.1.0 [M+Na]+ 212.922668 predictedDarkChem Lite v0.1.0 [M+Na]+ 216.405368 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.1371 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsUridine-cytidine kinase 2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Uridine kinase activity
- Specific Function
- Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate don...
- Gene Name
- UCK2
- Uniprot ID
- Q9BZX2
- Uniprot Name
- Uridine-cytidine kinase 2
- Molecular Weight
- 29298.92 Da
References
2. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- HCV
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Core protein packages viral RNA to form a viral nucleocapsid, and promotes virion budding. Modulates viral translation initiation by interacting with HCV IRES and 40S ribosomal subunit. Also regula...
- Gene Name
- Not Available
- Uniprot ID
- P26662
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 327018.235 Da
References
3. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- Hepatitis C virus genotype 1b (isolate BK)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Core protein packages viral RNA to form a viral nucleocapsid, and promotes virion budding. Modulates viral translation initiation by interacting with HCV IRES and 40S ribosomal subunit. Also regula...
- Gene Name
- Not Available
- Uniprot ID
- P26663
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 327190.435 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52