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Identification
NameRibose-1-Phosphate
Accession NumberDB03101  (EXPT02743)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 230.1098
Monoisotopic: 230.01915384
Chemical FormulaC5H11O8P
InChI KeyYXJDFQJKERBOBM-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
Mass SpecNot Available
Taxonomy
KingdomOrganic Compounds
SuperclassOrganooxygen Compounds
ClassCarbohydrates and Carbohydrate Conjugates
SubclassMonosaccharides
Direct parentPentose Phosphates
Alternative parentsOrganophosphate Esters; Organic Phosphoric Acids; Tetrahydrofurans; Oxolanes; 1,2-Diols; Secondary Alcohols; Primary Alcohols; Ethers; Polyamines
Substituentsorganic phosphate; phosphoric acid ester; tetrahydrofuran; oxolane; 1,2-diol; secondary alcohol; primary alcohol; polyamine; ether; alcohol
Classification descriptionThis compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
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 - 0.9596
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 substrate Non-inhibitor 0.8881
CYP450 2D6 substrate Non-inhibitor 0.9193
CYP450 2C19 substrate Non-inhibitor 0.8783
CYP450 3A4 substrate 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
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
water solubility3.52e+01 g/lALOGPS
logP-2ALOGPS
logP-2.4ChemAxon
logS-0.82ALOGPS
pKa (strongest acidic)1.16ChemAxon
pKa (strongest basic)-3ChemAxon
physiological charge-2ChemAxon
hydrogen acceptor count7ChemAxon
hydrogen donor count5ChemAxon
polar surface area136.68ChemAxon
rotatable bond count3ChemAxon
refractivity40.83ChemAxon
polarizability18.17ChemAxon
number of rings1ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleNoChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ResourceLink
PubChem Compound439236
PubChem Substance46508297
ChEBI16300
ChEMBL
HETR1P
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Uridine phosphorylase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
Uridine phosphorylase P12758 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

2. Purine nucleoside phosphorylase

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Purine nucleoside phosphorylase P00491 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
  3. 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. Pubmed

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:20