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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL604608
CHEMBL604608
Compound Name FRUCTOSE
ChEMBL Synonyms LEVULOSE | FRUCTOSE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL604608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1- ...
Download InChI
Standard InChI Key RFSUNEUAIZKAJO-ARQDHWQXSA-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


CHEMBL604608

Molecule Features

CHEMBL604608 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

Clinical Data

ClinicalTrials.gov FRUCTOSE
The Cochrane Collaboration FRUCTOSE

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 CHEMBL604608. 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
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.998
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.998
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.987
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.789
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 0.670
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.432
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.412
CHEMBL222 Norepinephrine transporter Homo sapiens 0.282
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.250
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.248
CHEMBL3589 Adenosine kinase Homo sapiens 0.228



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.999
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.998
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.998
CHEMBL2982 Adenosine kinase Toxoplasma gondii 0.997
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.974
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.933
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 0.910
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.882
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.667
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.494
CHEMBL222 Norepinephrine transporter Homo sapiens 0.465
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 0.437
CHEMBL3589 Adenosine kinase Homo sapiens 0.437
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.415
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.393
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.288
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.285
CHEMBL299 Protein kinase C alpha Homo sapiens 0.244

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 180.0634 -2.56 2 110.38 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
11.42 - -1.98 -1.98 0 12 0.32

Structural Alerts

There are no structural alerts for CHEMBL604608

Compound Cross References

ATC V - VARIOUS
V06 - GENERAL NUTRIENTS
V06D - OTHER NUTRIENTS
V06DC - Carbohydrates
V06DC02 - fructose

ChemSpider ChemSpider:RFSUNEUAIZKAJO-ARQDHWQXSA-N
PubChem SID: 144207106 SID: 144207960
Wikipedia Fructose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL604608



ACToR 53188-23-1
Brenda 2782 1630 124163 210606
ChEBI 28645
eMolecules 884762
EPA CompTox Dashboard DTXSID5023081
FDA SRS B986VTP17J
Human Metabolome Database HMDB0000660
IBM Patent System EEACB0DA8E380B41DBE53C203F5BC748
KEGG Ligand C02336
Metabolights MTBLC28645
MolPort MolPort-009-755-105
Nikkaji J450.088A
PDBe FRU
PubChem 439709
PubChem: Thomson Pharma 14772731
Recon fru
Rhea 28645
SureChEMBL SCHEMBL3966
ZINC ZINC000001529270

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