NAV

Beta-L-Arabinose

Identification

Generic Name
Beta-L-Arabinose
DrugBank Accession Number
DB03246
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 150.13
Monoisotopic: 150.052823422
Chemical Formula
C5H10O5
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UL-arabinose-binding periplasmic proteinNot AvailableEscherichia 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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
194RG7YBRS
CAS number
7296-56-2
InChI Key
SRBFZHDQGSBBOR-KLVWXMOXSA-N
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
IUPAC Name
(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol
SMILES
O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O

References

General References
Not Available
Human Metabolome Database
HMDB0094694
KEGG Compound
C02479
PubChem Compound
6857384
PubChem Substance
46506224
ChemSpider
388821
ChEBI
40886
ZINC
ZINC000003860202
PDBe Ligand
ARB
PDB Entries
1abe / 1bap / 1cpo / 1mmz / 3tb6 / 4nzf / 4qdp / 5la2 / 6abp

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility1220.0 mg/mLALOGPS
logP-2.6ALOGPS
logP-2.3Chemaxon
logS0.91ALOGPS
pKa (Strongest Acidic)11.31Chemaxon
pKa (Strongest Basic)-3.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area90.15 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity29.96 m3·mol-1Chemaxon
Polarizability13.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.5
Blood Brain Barrier+0.858
Caco-2 permeable-0.8468
P-glycoprotein substrateNon-substrate0.7353
P-glycoprotein inhibitor INon-inhibitor0.941
P-glycoprotein inhibitor IINon-inhibitor0.9817
Renal organic cation transporterNon-inhibitor0.8808
CYP450 2C9 substrateNon-substrate0.8352
CYP450 2D6 substrateNon-substrate0.8642
CYP450 3A4 substrateNon-substrate0.6705
CYP450 1A2 substrateNon-inhibitor0.9237
CYP450 2C9 inhibitorNon-inhibitor0.9467
CYP450 2D6 inhibitorNon-inhibitor0.9607
CYP450 2C19 inhibitorNon-inhibitor0.9406
CYP450 3A4 inhibitorNon-inhibitor0.973
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9404
Ames testNon AMES toxic0.8567
CarcinogenicityNon-carcinogens0.949
BiodegradationReady biodegradable0.9415
Rat acute toxicity0.9608 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9678
hERG inhibition (predictor II)Non-inhibitor0.9447
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

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Details1. L-arabinose-binding periplasmic protein
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Monosaccharide-transporting atpase activity
Specific Function
Involved in the high-affinity L-arabinose membrane transport system. Binds with high affinity to arabinose, but can also bind D-galactose (approximately 2-fold reduction) and D-fucose (approximatel...
Gene Name
araF
Uniprot ID
P02924
Uniprot Name
L-arabinose-binding periplasmic protein
Molecular Weight
35540.67 Da
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. [Article]
  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. [Article]

Drug created at June 13, 2005 13:24 / Updated at August 26, 2022 21:50