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Identification
NameRibose
Accession NumberDB01936  (EXPT02783)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS number50-69-1
WeightAverage: 150.1299
Monoisotopic: 150.05282343
Chemical FormulaC5H10O5
InChI KeyHMFHBZSHGGEWLO-MBMOQRBOSA-N
InChI
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1
IUPAC Name
(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILES
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O
Mass SpecNot Available
Taxonomy
KingdomOrganic Compounds
SuperclassOrganooxygen Compounds
ClassCarbohydrates and Carbohydrate Conjugates
SubclassMonosaccharides
Direct parentPentoses
Alternative parentsTetrahydrofurans; Oxolanes; Hemiacetals; Secondary Alcohols; 1,2-Diols; Primary Alcohols; Polyamines
Substituentstetrahydrofuran; oxolane; secondary alcohol; polyol; hemiacetal; 1,2-diol; polyamine; primary alcohol; ether; alcohol
Classification descriptionThis compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
Property Value Probability
Human Intestinal Absorption - 0.5
Blood Brain Barrier + 0.858
Caco-2 permeable - 0.8468
P-glycoprotein substrate Non-substrate 0.7353
P-glycoprotein inhibitor I Non-inhibitor 0.941
P-glycoprotein inhibitor II Non-inhibitor 0.9817
Renal organic cation transporter Non-inhibitor 0.8808
CYP450 2C9 substrate Non-substrate 0.8352
CYP450 2D6 substrate Non-substrate 0.8642
CYP450 3A4 substrate Non-substrate 0.6705
CYP450 1A2 substrate Non-inhibitor 0.9237
CYP450 2C9 substrate Non-inhibitor 0.9467
CYP450 2D6 substrate Non-inhibitor 0.9607
CYP450 2C19 substrate Non-inhibitor 0.9406
CYP450 3A4 substrate Non-inhibitor 0.973
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9404
Ames test Non AMES toxic 0.8567
Carcinogenicity Non-carcinogens 0.949
Biodegradation Ready biodegradable 0.9415
Rat acute toxicity 0.9608 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.9678
hERG inhibition (predictor II) Non-inhibitor 0.9447
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental Properties
PropertyValueSource
melting point95 °CPhysProp
logP-2.32HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
water solubility1.07e+03 g/lALOGPS
logP-2.6ALOGPS
logP-2.3ChemAxon
logS0.85ALOGPS
pKa (strongest acidic)11.31ChemAxon
pKa (strongest basic)-3ChemAxon
physiological charge0ChemAxon
hydrogen acceptor count5ChemAxon
hydrogen donor count4ChemAxon
polar surface area90.15ChemAxon
rotatable bond count1ChemAxon
refractivity29.96ChemAxon
polarizability13.68ChemAxon
number of rings1ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleNoChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis Reference

Fabienne Chatreaux, Michel Klich, Laurent Schio, “Aromatic derivatives substituted by a ribose, their preparation process and their use as medicaments.” U.S. Patent US5968939, issued January, 1969.

US5968939
General ReferenceNot Available
External Links
ResourceLink
KEGG CompoundC08353
PubChem Compound9996708
PubChem Substance46504941
ChemSpider968
ChEBI16988
ChEMBL
HETRIB
WikipediaRibose
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Ribokinase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
Ribokinase P0A9J6 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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. Pubmed

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:16