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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 0
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

Molecule Features

CHEMBL604608 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL604608

Alternate Forms of Compound in ChEMBL


CHEMBL604608

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
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.999
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.999
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.998
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 0.824
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.771
CHEMBL3589 Adenosine kinase Homo sapiens 0.590
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.468
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.413
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.362
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.270
CHEMBL2868 Vasopressin V1a receptor Rattus norvegicus 0.219
CHEMBL222 Norepinephrine transporter Homo sapiens 0.212



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL2074 Maltase-glucoamylase Homo sapiens 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.999
CHEMBL2982 Adenosine kinase Toxoplasma gondii 0.999
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.999
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.997
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.975
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 0.964
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.850
CHEMBL3589 Adenosine kinase Homo sapiens 0.790
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.677
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.390
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 0.376
CHEMBL222 Norepinephrine transporter Homo sapiens 0.374
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.351
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.351
CHEMBL299 Protein kinase C alpha Homo sapiens 0.288
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 0.285

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

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
ChEBI 28645
eMolecules 884762
FDA SRS B986VTP17J
Human Metabolome Database HMDB00660
IBM Patent System EEACB0DA8E380B41DBE53C203F5BC748
KEGG Ligand C02336
Nikkaji J450.088A
PDBe FRU
PubChem 439709
PubChem: Thomson Pharma 14772731
Recon fru
SureChEMBL SCHEMBL3966
ZINC ZINC01529270

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