alpha-L-methyl-fucose
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Identification
- Generic Name
- alpha-L-methyl-fucose
- DrugBank Accession Number
- DB03879
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 178.1831
Monoisotopic: 178.084123558 - Chemical Formula
- C7H14O5
- Synonyms
- alpha-L-1-Methyl-fucose
- Methyl alpha-L-fucopyranoside
- α-L-Methyl-Fucose
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMannose-binding protein C Not Available Humans UChondroitinase-AC Not Available Pedobacter heparinus (strain ATCC 13125 / DSM 2366 / NCIB 9290) - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- O-glycosyl compounds
- Alternative Parents
- Hexoses / Oxanes / Secondary alcohols / Polyols / Oxacyclic compounds / Acetals / Hydrocarbon derivatives
- Substituents
- Acetal / Alcohol / Aliphatic heteromonocyclic compound / Hexose monosaccharide / Hydrocarbon derivative / Monosaccharide / O-glycosyl compound / Organoheterocyclic compound / Oxacycle / Oxane
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- EZI2C7VVU0
- CAS number
- 14687-15-1
- InChI Key
- OHWCAVRRXKJCRB-CXNFULCWSA-N
- InChI
- InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
- IUPAC Name
- (2R,3S,4R,5S,6S)-2-methoxy-6-methyloxane-3,4,5-triol
- SMILES
- CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 446578
- PubChem Substance
- 46505838
- ChemSpider
- 393896
- ChEMBL
- CHEMBL1234282
- ZINC
- ZINC000002509839
- PDBe Ligand
- MFU
- PDB Entries
- 1cb8 / 1jxn / 1kww / 1rdi / 2boi / 2bt9 / 2jdm / 2jdp / 2jdu / 4csd … show 13 more
Clinical Trials
- Clinical Trials
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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 812.0 mg/mL ALOGPS logP -1.6 ALOGPS logP -1.2 Chemaxon logS 0.66 ALOGPS pKa (Strongest Acidic) 12.23 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 79.15 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 39.13 m3·mol-1 Chemaxon Polarizability 17.26 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0bvr-9500000000-92dbc97d06e7dd97e549 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-744c4686d321981a4600 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-1900000000-af28f9ca8c8cc97e6f54 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-7900000000-14eb1eece400cee3f9c4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-054o-9500000000-b07f2eb0d9bb6a4d302a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-9100000000-01f64806ab701305f6ae Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9100000000-a1b63fd94d98c0de120c 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]- 137.41344 predictedDeepCCS 1.0 (2019) [M+H]+ 139.57878 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.67583 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsMannose-binding protein C
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Calcium-dependent lectin involved in innate immune defense (PubMed:35102342). Binds mannose, fucose and N-acetylglucosamine on different microorganisms and activates the lectin complement pathway. Binds to late apoptotic cells, as well as to apoptotic blebs and to necrotic cells, but not to early apoptotic cells, facilitating their uptake by macrophages. May bind DNA. Upon SARS coronavirus-2/SARS-CoV-2 infection, activates the complement lectin pathway which leads to the inhibition SARS-CoV-2 infection and a reduction of the induced inflammatory response (PubMed:35102342)
- Specific Function
- calcium-dependent protein binding
- Gene Name
- MBL2
- Uniprot ID
- P11226
- Uniprot Name
- Mannose-binding protein C
- Molecular Weight
- 26143.345 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]
2. DetailsChondroitinase-AC
- Kind
- Protein
- Organism
- Pedobacter heparinus (strain ATCC 13125 / DSM 2366 / NCIB 9290)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- carbohydrate binding
- Gene Name
- cslA
- Uniprot ID
- Q59288
- Uniprot Name
- Chondroitinase-AC
- Molecular Weight
- 79693.285 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52