ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL493287
CHEMBL493287
Compound Name GLUCOSAMINE
ChEMBL Synonyms DOLENIO | GOSACHEW | COZACHEW MELTDOWN COMBI | COZACHEW MELTDOWN 1500 | GLUCOSAMINE SULFATE SODIUM CHLORIDE | GLUCOSAMINE | GOSAVEG | BR PHARM | BIO-HEALTH | ALATERIS | ARDERN | JOINT-FLEX DAILY | GLUCOSAMINE SULFATE POTASSIUM CHLORIDE | COZACHEW FIZZ | COZACHEW FIZZ COMBI | GLUCOSAMINE HYDROCHLORIDE | GLUCOSAMINE HCL MELTDOWN | PRO COXAM | GLUCOSAMINE HYDROCHLORIDE | GLUCOSAMINE SULF | FOSAVEG | FOSACHEW | FLEXI-MELT | GLUSARTEL
Max Phase 4 (Approved)
Trade Names COZACHEW FIZZ | COZACHEW FIZZ COMBI | PRO COXAM | JOINT-FLEX DAILY | DOLENIO | COZACHEW MELTDOWN 1500 | COZACHEW MELTDOWN COMBI | GOSACHEW | ALATERIS | BIO-HEALTH | BR PHARM | GOSAVEG | ARDERN | FLEXI-MELT | FOSACHEW | FOSAVEG | GLUSARTEL | GLUCOSAMINE HCL MELTDOWN
Molecular Formula C6H13NO5

Additional synonyms for CHEMBL493287 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1 ...
Download InChI
Standard InChI Key MSWZFWKMSRAUBD-IVMDWMLBSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL493287

Molecule Features

CHEMBL493287 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee3ClinicalTrials
ClinicalTrials
Rheumatic DiseasesD012216EFO:0005755rheumatic disease4ATC
OsteoarthritisD010003EFO:0002506osteoarthritis3ClinicalTrials
PeriodontitisD010518EFO:0000649periodontitis0ClinicalTrials

Clinical Data

ClinicalTrials.gov GLUCOSAMINE
The Cochrane Collaboration GLUCOSAMINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL493287. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL2864 6-O-methylguanine-DNA methyltransferase Homo sapiens 0.972
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.940
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.894
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.872
CHEMBL2966 Adenosine deaminase Bos taurus 0.846
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.830
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 0.807



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.999
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.999
CHEMBL2966 Adenosine deaminase Bos taurus 0.999
CHEMBL1973 Tyrosinase Homo sapiens 0.999
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.999
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.994
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 0.994
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 0.987

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
179.2 179.0794 -3.25 1 116.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.27 8.44 -2.17 -3.29 0 12 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL493287. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AX - Other antiinflammatory and antirheumatic agents, non-steroids
M01AX05 - glucosamine

ChemSpider ChemSpider:MSWZFWKMSRAUBD-IVMDWMLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL493287



Brenda 699 2656 93007 211430 6101 153843 96343
ChEBI 47977
DrugBank DB01296
DrugCentral 1307
eMolecules 4775230
Human Metabolome Database HMDB0001514
IBM Patent System A57C3EBD622F9B4355B42EE9DC285CD8
KEGG Ligand C00329
Metabolights MTBLC47977
MolPort MolPort-002-507-091
Nikkaji J412.978D
PharmGKB PA164747613
PubChem 439213
PubChem: Thomson Pharma 14748321 15147292
SureChEMBL SCHEMBL167831

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MSWZFWKMSRAUBD-IVMDWMLBSA-N spacer
spacer