ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1682
CHEMBL1682
Compound Name SORBITOL
ChEMBL Synonyms SORBITOL | E420 | D-SORBITOL
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6H14O6

Additional synonyms for CHEMBL1682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
Standard InChI InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3 ...
Download InChI
Standard InChI Key FBPFZTCFMRRESA-JGWLITMVSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1682

Molecule Features

CHEMBL1682 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov SORBITOL
The Cochrane Collaboration SORBITOL

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 CHEMBL1682. 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 0.999
CHEMBL2854 Cholecystokinin B receptor Mus musculus 0.950
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.894
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.879
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.539
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.539
CHEMBL5522 Transient receptor potential cation channel subfamily V member 3 Homo sapiens 0.228



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 1.000
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.999
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.979
CHEMBL2854 Cholecystokinin B receptor Mus musculus 0.950
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 0.889
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.819
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.803
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.497
CHEMBL5522 Transient receptor potential cation channel subfamily V member 3 Homo sapiens 0.393
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.357

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
182.2 182.079 -2.94 5 121.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.14 - -3.26 -3.26 0 12 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL1682. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V04 - DIAGNOSTIC AGENTS
V04C - OTHER DIAGNOSTIC AGENTS
V04CC - Tests for bile duct patency
V04CC01 - sorbitol

A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AD - Osmotically acting laxatives
A06AD18 - sorbitol

A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AG - Enemas
A06AG07 - sorbitol

B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05C - IRRIGATING SOLUTIONS
B05CX - Other irrigating solutions
B05CX02 - sorbitol

ChemSpider ChemSpider:FBPFZTCFMRRESA-JGWLITMVSA-N
DailyMed sorbitol
PubChem SID: 144213700 SID: 26757772 SID: 56322758
Wikipedia Sorbitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1682



ACToR 15060-73-8
Brenda 1149 2651
ChEBI 17924
DrugBank DB01638
DrugCentral 2462
eMolecules 490986
EPA CompTox Dashboard DTXSID5023588
FDA SRS 506T60A25R
Human Metabolome Database HMDB0000247
IBM Patent System 5A6E7B845E42A2CB5E3030F5FC43611A
KEGG Ligand C00794
Metabolights MTBLC17924
MolPort MolPort-003-928-393
Nikkaji J2.299C
PDBe SOR
PharmGKB PA451455
PubChem 5780
PubChem: Thomson Pharma 15120642 15171353
Recon sbt_D
Rhea 17924
Selleck Sorbitol(Glucitol)
SureChEMBL SCHEMBL763
ZINC ZINC000018279893

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