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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL96783
CHEMBL96783
Compound Name XYLITOL
ChEMBL Synonyms E967 | Xylitol
Max Phase 0
Trade Names
Molecular Formula C5H12O5

Additional synonyms for CHEMBL96783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@H](O)[C@@H](O)CO
Standard InChI InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5 ...
Download InChI
Standard InChI Key HEBKCHPVOIAQTA-SCDXWVJYSA-N

Molecule Features

CHEMBL96783 compound icon
Drug Type:Synthetic Small Molecule 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 1 structural alerts for CHEMBL96783. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL96783

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 CHEMBL96783. 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
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.978
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.658
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.376
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.369
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.296
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.205



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.994
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.991
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.966
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.621
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.313
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.282
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.234

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
152.2 152.0685 -2.43 4 101.15 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 - -2.65 -2.65 0 10 0.31

Compound Cross References

ChemSpider ChemSpider:HEBKCHPVOIAQTA-SCDXWVJYSA-N
PubChem SID: 144208254
Wikipedia Xylitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL96783



ChEBI 17151
DrugBank DB01904
eMolecules 513262
FDA SRS VCQ006KQ1E
IBM Patent System 4CC9C4A91D77FF3AB1BB3E0FC0B6C999
KEGG Ligand C00379
Nikkaji J3.905E
PDBe XYL
PubChem: Thomson Pharma 15170911
Recon xylt
SureChEMBL SCHEMBL4250
ZINC ZINC18068098

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