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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL502135
CHEMBL502135
Compound Name XYLOSE
ChEMBL Synonyms Xylose | Xylo-Pfan
Max Phase 4 (Approved)
Trade Names Xylose | Xylo-Pfan
Molecular Formula C5H10O5

Additional synonyms for CHEMBL502135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1COC(O)[C@H](O)[C@H]1O
Standard InChI InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4- ...
Download InChI
Standard InChI Key SRBFZHDQGSBBOR-IOVATXLUSA-N

Molecule Features

CHEMBL502135 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

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 1 structural alerts for CHEMBL502135. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL502135

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 CHEMBL502135. 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 0.990
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.957
CHEMBL3761 Beta-glucosidase Homo sapiens 0.537
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.294
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.261
CHEMBL3589 Adenosine kinase Homo sapiens 0.226
CHEMBL5331 Proto-oncogene tyrosine-protein kinase MER Homo sapiens 0.209



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.991
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.970
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.629
CHEMBL3761 Beta-glucosidase Homo sapiens 0.557
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.470
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.449
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.435
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.390
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.332
CHEMBL5331 Proto-oncogene tyrosine-protein kinase MER Homo sapiens 0.329
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.303

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
150.1 150.0528 -2 0 90.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.27 - -2.12 -2.12 0 10 0.32

Compound Cross References

ChemSpider ChemSpider:SRBFZHDQGSBBOR-IOVATXLUSA-N
PubChem SID: 144212372 SID: 56323718
Wikipedia Xylose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL502135



ACToR 50855-32-8
Atlas xylose
BindinDB 16234
ChEBI 53455
eMolecules 512347 29535916
Human Metabolome Database HMDB00098
IBM Patent System 5EAAFA30A245C7367737210F62CB8EAA
IBM Patents EP0117413A1 US7258902 US20050230660 EP0053827A2 US20040048785 US20050059632 EP2041153B1 EP0118676A1 US20040014185 US20060223763 US7732414 US7049300 US4454123
KEGG Ligand C00181
MolPort MolPort-003-934-029
Nikkaji J236.514F
PubChem 135191
PubChem: Thomson Pharma 14747878
SureChEMBL SCHEMBL39891

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