Identification
- Generic Name
- Ribose-1-Phosphate
- DrugBank Accession Number
- DB03101
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Ribose-1-Phosphate (DB03101)
- Weight
- Average: 230.1098
Monoisotopic: 230.01915384 - Chemical Formula
- C5H11O8P
- 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
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 phosphorylase Not Available Escherichia coli (strain K12) UPurine nucleoside phosphorylase 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. 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
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Pentoses
- Alternative Parents
- Monoalkyl phosphates / Tetrahydrofurans / Secondary alcohols / Oxacyclic compounds / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Organic oxide / Organic phosphoric acid derivative / Organoheterocyclic compound / Oxacycle / Pentose monosaccharide
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- D-ribose 1-phosphate (CHEBI:16300)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- YXJDFQJKERBOBM-TXICZTDVSA-N
- InChI
- InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
- IUPAC Name
- {[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid
- SMILES
- OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001489
- KEGG Compound
- C00620
- PubChem Compound
- 439236
- PubChem Substance
- 46508297
- ChemSpider
- 388373
- ChEBI
- 16300
- ChEMBL
- CHEMBL603367
- ZINC
- ZINC000004228268
- PDBe Ligand
- R1P
- PDB Entries
- 1a9t / 1rxc / 1tgy / 2h4l / 3bje / 3fb1 / 3qpb / 5ko6 / 6k5h / 6k8p
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
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 35.2 mg/mL ALOGPS logP -2 ALOGPS logP -2.4 Chemaxon logS -0.82 ALOGPS pKa (Strongest Acidic) 1.16 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 136.68 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 40.83 m3·mol-1 Chemaxon Polarizability 18.17 Å3 Chemaxon Number of Rings 1 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 - 0.9596 Blood Brain Barrier + 0.9149 Caco-2 permeable - 0.7202 P-glycoprotein substrate Non-substrate 0.7452 P-glycoprotein inhibitor I Non-inhibitor 0.8199 P-glycoprotein inhibitor II Non-inhibitor 0.9906 Renal organic cation transporter Non-inhibitor 0.906 CYP450 2C9 substrate Non-substrate 0.7838 CYP450 2D6 substrate Non-substrate 0.8285 CYP450 3A4 substrate Non-substrate 0.5879 CYP450 1A2 substrate Non-inhibitor 0.8813 CYP450 2C9 inhibitor Non-inhibitor 0.8881 CYP450 2D6 inhibitor Non-inhibitor 0.9193 CYP450 2C19 inhibitor Non-inhibitor 0.8783 CYP450 3A4 inhibitor Non-inhibitor 0.9706 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.951 Ames test Non AMES toxic 0.7974 Carcinogenicity Non-carcinogens 0.8986 Biodegradation Ready biodegradable 0.7801 Rat acute toxicity 1.9898 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9251 hERG inhibition (predictor II) Non-inhibitor 0.879
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.2491667 predictedDarkChem Lite v0.1.0 [M-H]- 139.19359 predictedDeepCCS 1.0 (2019) [M+H]+ 152.6070667 predictedDarkChem Lite v0.1.0 [M+H]+ 141.51007 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.8158667 predictedDarkChem Lite v0.1.0 [M+Na]+ 148.07152 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Uridine phosphorylase activity
- Specific Function
- Catalyzes the reversible phosphorylytic cleavage of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate. The produced molecules are then utilized as carbon and energy sources ...
- Gene Name
- udp
- Uniprot ID
- P12758
- Uniprot Name
- Uridine phosphorylase
- Molecular Weight
- 27158.88 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Purine-nucleoside phosphorylase activity
- Specific Function
- The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine ...
- Gene Name
- PNP
- Uniprot ID
- P00491
- Uniprot Name
- Purine nucleoside phosphorylase
- Molecular Weight
- 32117.69 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]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52