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
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
- Receptor binding
- Specific Function
- Calcium-dependent lectin involved in innate immune defense. Binds mannose, fucose and N-acetylglucosamine on different microorganisms and activates the lectin complement pathway. Binds to late apop...
- 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
- Metal ion binding
- Specific Function
- Not Available
- 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