Beta-L-Arabinose
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Identification
- Generic Name
- Beta-L-Arabinose
- DrugBank Accession Number
- DB03246
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 150.13
Monoisotopic: 150.052823422 - Chemical Formula
- C5H10O5
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UL-arabinose-binding periplasmic protein 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
- 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
- External Links
- 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
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 1220.0 mg/mL ALOGPS logP -2.6 ALOGPS logP -2.3 Chemaxon logS 0.91 ALOGPS pKa (Strongest Acidic) 11.31 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 90.15 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 29.96 m3·mol-1 Chemaxon Polarizability 13.37 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 - 0.5 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 inhibitor Non-inhibitor 0.9467 CYP450 2D6 inhibitor Non-inhibitor 0.9607 CYP450 2C19 inhibitor Non-inhibitor 0.9406 CYP450 3A4 inhibitor 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
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0159-0900000000-10bacfb51d10011271fe Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000j-9400000000-2830973d608b815ba6dc Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0007-9100000000-8c4c49ea22df82c1a4a3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052o-9000000000-5383979d7d1740e14014 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9000000000-e6bb56a82f55d73cac1c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-9000000000-8c74ff34db7d039ae61d 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]- 126.5548907 predictedDarkChem Lite v0.1.0 [M-H]- 129.59442 predictedDeepCCS 1.0 (2019) [M+H]+ 129.2387907 predictedDarkChem Lite v0.1.0 [M+H]+ 131.98997 predictedDeepCCS 1.0 (2019) [M+Na]+ 127.0084907 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.86159 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsL-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
Drug created at June 13, 2005 13:24 / Updated at August 26, 2022 21:50