ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1222250
CHEMBL1222250
Compound Name GLUCOSE, LIQUID
ChEMBL Synonyms GLUCOSE, LIQUID | Dextrose | GLUCOSE-40 | INSTA-GLUCOSE | Glucose
Max Phase 3
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL1222250 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2 ...
Download InChI
Standard InChI Key WQZGKKKJIJFFOK-GASJEMHNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1222250

Molecule Features

CHEMBL1222250 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov GLUCOSE, LIQUID
The Cochrane Collaboration GLUCOSE, LIQUID

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 CHEMBL1222250. 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
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 0.999
CHEMBL256 Adenosine A3 receptor Homo sapiens 0.999
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.998
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.998
CHEMBL4975 Adenosine A1 receptor Bos taurus 0.994
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.990
CHEMBL2864 6-O-methylguanine-DNA methyltransferase Homo sapiens 0.990
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.987
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.977



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL1973 Tyrosinase Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 1.000
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.999
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.999

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 180.0634 -2.51 1 110.38 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 - -2.49 -2.49 0 12 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL1222250. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WQZGKKKJIJFFOK-GASJEMHNSA-N
PubChem SID: 144206716 SID: 144207343 SID: 29218051
Wikipedia Glucose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1222250



ACToR 111688-73-4 9037-91-6 58367-01-4
Atlas glucose
BindingDB 34103
Brenda 35 42501 174336 1969 105839 101821 174337 49222 211428 223
ChEBI 4167
eMolecules 711823 29536451
EPA CompTox Dashboard DTXSID7022910
Guide to Pharmacology 4536
Human Metabolome Database HMDB0000122
IBM Patent System 851A2032661C5AABB5ED06601367E00D
KEGG Ligand C00031
Metabolights MTBLC4167
MolPort MolPort-021-782-999
Nikkaji J213.160I
PubChem 5793
PubChem: Thomson Pharma 15147309 15120604
Recon glc_D
Rhea 4167
SureChEMBL SCHEMBL1278

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