6-oxouridine 5'-phosphate
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Identification
- Generic Name
- 6-oxouridine 5'-phosphate
- DrugBank Accession Number
- DB03668
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 340.1807
Monoisotopic: 340.030781158 - Chemical Formula
- C9H13N2O10P
- Synonyms
- 5,6-dihydro-6-oxouridine 5'-monophosphate
- 5,6-dihydro-6-oxouridine 5'-phosphate
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
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UOrotidine 5'-phosphate decarboxylase Not Available Escherichia coli (strain K12) - 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 ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate 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 monophosphates
- Alternative Parents
- Pentose phosphates / Monosaccharide phosphates / Barbituric acid derivatives / Monoalkyl phosphates / N-acyl ureas / 1,3-dicarbonyl compounds / Diazinanes / Dicarboximides / Tetrahydrofurans / Secondary alcohols show 7 more
- Substituents
- 1,2-diol / 1,3-diazinane / 1,3-dicarbonyl compound / Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group show 27 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- pyrimidine ribonucleoside 5'-monophosphate (CHEBI:41150)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- AODYJUNLDJOADV-YXZULKJRSA-N
- InChI
- InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy}phosphonic acid
- SMILES
- O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 445132
- PubChem Substance
- 46504629
- ChemSpider
- 392864
- ChEBI
- 41150
- ChEMBL
- CHEMBL1231399
- ZINC
- ZINC000001559604
- PDBe Ligand
- BMQ
- PDB Entries
- 1eix
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 logP -3 Chemaxon pKa (Strongest Acidic) 1.23 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 182.93 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 63.44 m3·mol-1 Chemaxon Polarizability 26.96 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 - 0.924 Blood Brain Barrier + 0.6687 Caco-2 permeable - 0.7476 P-glycoprotein substrate Non-substrate 0.6938 P-glycoprotein inhibitor I Non-inhibitor 0.7963 P-glycoprotein inhibitor II Non-inhibitor 0.9605 Renal organic cation transporter Non-inhibitor 0.9445 CYP450 2C9 substrate Non-substrate 0.7187 CYP450 2D6 substrate Non-substrate 0.8519 CYP450 3A4 substrate Non-substrate 0.5291 CYP450 1A2 substrate Non-inhibitor 0.9027 CYP450 2C9 inhibitor Non-inhibitor 0.8973 CYP450 2D6 inhibitor Non-inhibitor 0.9128 CYP450 2C19 inhibitor Non-inhibitor 0.8844 CYP450 3A4 inhibitor Non-inhibitor 0.9457 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9823 Ames test Non AMES toxic 0.7898 Carcinogenicity Non-carcinogens 0.9015 Biodegradation Ready biodegradable 0.6677 Rat acute toxicity 2.2355 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9764 hERG inhibition (predictor II) Non-inhibitor 0.8798
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. DetailsOrotidine 5'-phosphate decarboxylase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Orotidine-5'-phosphate decarboxylase activity
- Specific Function
- Catalyzes the decarboxylation of orotidine 5'-monophosphate (OMP) to uridine 5'-monophosphate (UMP).
- Gene Name
- pyrF
- Uniprot ID
- P08244
- Uniprot Name
- Orotidine 5'-phosphate decarboxylase
- Molecular Weight
- 26349.99 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52