Deoxyuridine-5'-Diphosphate
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Identification
- Generic Name
- Deoxyuridine-5'-Diphosphate
- DrugBank Accession Number
- DB03413
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 388.1618
Monoisotopic: 388.007282324 - Chemical Formula
- C9H14N2O11P2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UDeoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial Not Available Humans UDeoxyuridine 5'-triphosphate nucleotidohydrolase Not Available Escherichia coli (strain K12) UDeoxyuridine 5'-triphosphate nucleotidohydrolase Not Available Mycobacterium tuberculosis UDeoxyuridine triphosphatase Not Available Trypanosoma cruzi UPol polyprotein Not Available EIAV - 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.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 pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleotides
- Sub Class
- Pyrimidine deoxyribonucleotides
- Direct Parent
- Pyrimidine 2'-deoxyribonucleoside diphosphates
- Alternative Parents
- Organic pyrophosphates / Pyrimidones / Monoalkyl phosphates / Hydropyrimidines / Vinylogous amides / Heteroaromatic compounds / Tetrahydrofurans / Ureas / Secondary alcohols / Lactams show 6 more
- Substituents
- Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Monoalkyl phosphate / Organic nitrogen compound show 17 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyrimidine 2'-deoxyribonucleoside 5'-diphosphate, deoxyuridine phosphate (CHEBI:28850) / Deoxyribonucleotides (C01346)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B2SK7999YL
- CAS number
- Not Available
- InChI Key
- QHWZTVCCBMIIKE-SHYZEUOFSA-N
- InChI
- InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
- IUPAC Name
- [({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
- SMILES
- O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001000
- KEGG Compound
- C01346
- PubChem Compound
- 145729
- PubChem Substance
- 46508146
- ChemSpider
- 128553
- BindingDB
- 50179185
- ChEBI
- 28850
- ChEMBL
- CHEMBL9519
- ZINC
- ZINC000008217150
- PDBe Ligand
- DUD
- PDB Entries
- 1duc / 1dud / 1ogk / 1q5h / 1slh / 2hr6 / 2ol0 / 2y1t / 2yzj / 3c2t … show 5 more
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 8.03 mg/mL ALOGPS logP -0.99 ALOGPS logP -2.1 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.77 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 192.16 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 72.8 m3·mol-1 Chemaxon Polarizability 29.83 Å3 Chemaxon Number of Rings 2 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 - 0.855 Blood Brain Barrier + 0.7879 Caco-2 permeable - 0.7855 P-glycoprotein substrate Non-substrate 0.6847 P-glycoprotein inhibitor I Non-inhibitor 0.776 P-glycoprotein inhibitor II Non-inhibitor 0.9322 Renal organic cation transporter Non-inhibitor 0.912 CYP450 2C9 substrate Non-substrate 0.6906 CYP450 2D6 substrate Non-substrate 0.849 CYP450 3A4 substrate Substrate 0.506 CYP450 1A2 substrate Non-inhibitor 0.8865 CYP450 2C9 inhibitor Non-inhibitor 0.8883 CYP450 2D6 inhibitor Non-inhibitor 0.9113 CYP450 2C19 inhibitor Non-inhibitor 0.8724 CYP450 3A4 inhibitor Non-inhibitor 0.847 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.923 Ames test Non AMES toxic 0.5733 Carcinogenicity Non-carcinogens 0.8324 Biodegradation Ready biodegradable 0.5184 Rat acute toxicity 2.3458 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9514 hERG inhibition (predictor II) Non-inhibitor 0.7652
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets

Build, predict & validate machine-learning models
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Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Poly(a) rna binding
- Specific Function
- This enzyme is involved in nucleotide metabolism: it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot b...
- Gene Name
- DUT
- Uniprot ID
- P33316
- Uniprot Name
- Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
- Molecular Weight
- 26562.975 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Magnesium ion binding
- Specific Function
- This enzyme is involved in nucleotide metabolism: it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot b...
- Gene Name
- dut
- Uniprot ID
- P06968
- Uniprot Name
- Deoxyuridine 5'-triphosphate nucleotidohydrolase
- Molecular Weight
- 16155.34 Da
References
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- This enzyme is involved in nucleotide metabolism: it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot be incorporated into DNA.
- Specific Function
- Dutp diphosphatase activity
- Gene Name
- dut
- Uniprot ID
- P9WNS5
- Uniprot Name
- Deoxyuridine 5'-triphosphate nucleotidohydrolase
- Molecular Weight
- 15802.815 Da
References
4. DetailsDeoxyuridine triphosphatase
- Kind
- Protein
- Organism
- Trypanosoma cruzi
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Tcdut
- Uniprot ID
- O15923
- Uniprot Name
- Deoxyuridine triphosphatase
- Molecular Weight
- 32065.1 Da
5. DetailsPol polyprotein
- Kind
- Protein
- Organism
- EIAV
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- During replicative cycle of retroviruses, the reverse-transcribed viral DNA is integrated into the host chromosome by the viral integrase enzyme. RNase H activity is associated with the reverse tra...
- Gene Name
- pol
- Uniprot ID
- P03371
- Uniprot Name
- Pol polyprotein
- Molecular Weight
- 129518.98 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52