Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- 6-hydroxyuridine-5'-phosphate
- DrugBank Accession Number
- DB02890
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 6-hydroxyuridine-5'-phosphate (DB02890)
- Weight
- Average: 340.1807
Monoisotopic: 340.030781158 - Chemical Formula
- C9H13N2O10P
- Synonyms
- 6-hydroxy-UMP
Pharmacology
- Indication
Not Available
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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 UUridine 5'-monophosphate synthase Not Available Humans 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. 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
- 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 / Glycosylamines / Monosaccharide phosphates / Hydroxypyrimidines / Monoalkyl phosphates / Pyrimidones / Hydropyrimidines / Tetrahydrofurans / Vinylogous acids / Heteroaromatic compounds show 11 more
- Substituents
- 1,2-diol / Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Hydroxypyrimidine show 26 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 29741-00-2
- InChI Key
- UDOBICLZEKUKCV-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/h1,3,6-8,13-15H,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-(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-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)NC(=O)C=C1O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 161647
- PubChem Substance
- 46506460
- ChemSpider
- 141973
- BindingDB
- 50199178
- ChEMBL
- CHEMBL383923
- ZINC
- ZINC000024479522
- PDBe Ligand
- BMP
- PDB Entries
- 1dqx / 1jjk / 1lor / 1x1z / 2zz1 / 2zz7 / 3bgg / 3ewx / 3ex4 / 3ltp … show 40 more
Clinical Trials
- Clinical Trials
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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 -2.4 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 6 Chemaxon Polar Surface Area 186.09 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 74.72 m3·mol-1 Chemaxon Polarizability 27.27 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 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 splash10-0002-9501000000-39083a96a60c312cc9b5 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0189000000-141b03f5eb052aa001bc Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9065000000-c196854e7f3138217f26 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0911000000-486b6292b6df527f4738 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9040000000-464699127f0c218bca45 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9510000000-12d1a205f8c471240bf0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0570-0900000000-1e54cbb1e137d81c4266 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]- 185.9408688 predictedDarkChem Lite v0.1.0 [M-H]- 154.04909 predictedDeepCCS 1.0 (2019) [M+H]+ 186.3366688 predictedDarkChem Lite v0.1.0 [M+H]+ 156.44466 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.3313688 predictedDarkChem Lite v0.1.0 [M+Na]+ 162.35716 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Bifunctional enzyme catalyzing the last two steps of de novo pyrimidine biosynthesis, orotate phosphoribosyltransferase (OPRT), which converts orotate to orotidine-5'-monophosphate (OMP), and orotidine-5'-monophosphate decarboxylase (ODC), the terminal enzymatic reaction that decarboxylates OMP to uridine monophosphate (UMP)
- Specific Function
- Identical protein binding
- Gene Name
- UMPS
- Uniprot ID
- P11172
- Uniprot Name
- Uridine 5'-monophosphate synthase
- Molecular Weight
- 52221.075 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]
- 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