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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 Xylitol | E967
Max Phase 3
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

Alternate Forms of Compound in ChEMBL


CHEMBL96783

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS1
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS2
INFECTIOND007239EFO:0000544INFECTION1
OSTEOARTHRITISD010003EFO:0002506OSTEOARTHRITIS4

Clinical Data

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

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 0.983
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.806
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.540
CHEMBL5522 Transient receptor potential cation channel subfamily V member 3 Homo sapiens 0.400
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.280
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.270
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.230



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 0.806
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.754
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.447
CHEMBL5522 Transient receptor potential cation channel subfamily V member 3 Homo sapiens 0.442
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 0.331
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.218

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

Structural Alerts

There are 1 structural alerts for CHEMBL96783. To view alerts please click here.

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
EPA CompTox Dashboard DTXSID7042514
FDA SRS VCQ006KQ1E
IBM Patent System E4753C1B7ACD3F413707E1B12E7F727F
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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