2'-Deoxyuridine 3'-Monophosphate
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Identification
- Generic Name
- 2'-Deoxyuridine 3'-Monophosphate
- DrugBank Accession Number
- DB03448
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 308.1819
Monoisotopic: 308.040951914 - Chemical Formula
- C9H13N2O8P
- 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
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism URibonuclease pancreatic Not Available Humans URibonuclease 4 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.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 ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Ribonucleoside 3'-phosphates
- Sub Class
- Not Available
- Direct Parent
- Ribonucleoside 3'-phosphates
- Alternative Parents
- Pyrimidones / Monoalkyl phosphates / Hydropyrimidines / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds / Ureas / Lactams / Oxacyclic compounds / Azacyclic compounds show 5 more
- Substituents
- Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Monoalkyl phosphate / Organic nitrogen compound show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyrimidine 2'-deoxyribonucleoside 3'-monophosphate, deoxyuridine phosphate (CHEBI:46322)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- LXKGKXYIAAKOCT-SHYZEUOFSA-N
- InChI
- InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(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)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
- SMILES
- OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O
References
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 8.41 mg/mL ALOGPS logP -1.6 ALOGPS logP -1.6 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 1.09 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 145.63 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 61.93 m3·mol-1 Chemaxon Polarizability 25.65 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 - 0.7803 Blood Brain Barrier + 0.9122 Caco-2 permeable - 0.7961 P-glycoprotein substrate Non-substrate 0.7688 P-glycoprotein inhibitor I Non-inhibitor 0.834 P-glycoprotein inhibitor II Non-inhibitor 0.9163 Renal organic cation transporter Non-inhibitor 0.8787 CYP450 2C9 substrate Non-substrate 0.6692 CYP450 2D6 substrate Non-substrate 0.8567 CYP450 3A4 substrate Non-substrate 0.5131 CYP450 1A2 substrate Non-inhibitor 0.891 CYP450 2C9 inhibitor Non-inhibitor 0.8682 CYP450 2D6 inhibitor Non-inhibitor 0.9197 CYP450 2C19 inhibitor Non-inhibitor 0.8554 CYP450 3A4 inhibitor Non-inhibitor 0.7966 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9028 Ames test Non AMES toxic 0.5 Carcinogenicity Non-carcinogens 0.7864 Biodegradation Not ready biodegradable 0.5322 Rat acute toxicity 2.3635 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9229 hERG inhibition (predictor II) Non-inhibitor 0.8046
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

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1. DetailsRibonuclease pancreatic
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribonuclease a activity
- Specific Function
- Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
- Gene Name
- RNASE1
- Uniprot ID
- P07998
- Uniprot Name
- Ribonuclease pancreatic
- Molecular Weight
- 17644.125 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
2. DetailsRibonuclease 4
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribonuclease activity
- Specific Function
- This RNase has marked specificity towards the 3' side of uridine nucleotides.
- Gene Name
- RNASE4
- Uniprot ID
- P34096
- Uniprot Name
- Ribonuclease 4
- Molecular Weight
- 16840.37 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52