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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 XYLO-PFAN | XYLOSE
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

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL502135

Molecule Features

CHEMBL502135 compound icon
Drug Type:Natural Product-derived 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

ClinicalTrials.gov XYLOSE
The Cochrane Collaboration XYLOSE

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
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.890
CHEMBL1987 Prostanoid FP receptor Homo sapiens 0.672

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.980
CHEMBL4045 AMP-activated protein kinase, alpha-1 subunit Homo sapiens 0.979
CHEMBL1973 Tyrosinase Homo sapiens 0.498
CHEMBL1987 Prostanoid FP receptor Homo sapiens 0.347
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.270
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
150.1 150.0528 -2.58 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 0.3

Structural Alerts

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

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
BindingDB 16234
Brenda 11058 854 102652 124642 115
ChEBI 53455
DrugCentral 2854
eMolecules 512347 29535916
EPA CompTox Dashboard DTXSID0023745
Human Metabolome Database HMDB0000098 HMDB0060254
IBM Patent System 5EAAFA30A245C7367737210F62CB8EAA
KEGG Ligand C00181
Metabolights MTBLC53455
MolPort MolPort-003-934-029
Nikkaji J236.514F
PubChem 135191
PubChem: Thomson Pharma 14747878
Rhea 53455
SureChEMBL SCHEMBL39891

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