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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL689
CHEMBL689
Compound Name MANNITOL
ChEMBL Synonyms Diosmol | BRONCHITOL | MANNA SUGAR | RESECTISOL | E421 | MANNITE | MANNITOL | OSMITROL | ARIDOL KIT | Alexitol sodium | D-MANNITOL
Max Phase 4 (Approved)
Trade Names Mannitol | ARIDOL KIT | OSMITROL | Mannite | BRONCHITOL | Diosmol | RESECTISOL
Molecular Formula C6H14O6

Additional synonyms for CHEMBL689 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-KVTDHHQDSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL689

Molecule Features

CHEMBL689 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov MANNITOL
The Cochrane Collaboration MANNITOL

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 CHEMBL689. 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 1.000
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.992
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.984
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.541
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.396
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.362



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 1.000
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.991
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.966
CHEMBL5648 Purine nucleoside phosphorylase Plasmodium falciparum 0.966
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.612
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.491
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.488
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.475
CHEMBL5522 Transient receptor potential cation channel subfamily V member 3 Homo sapiens 0.278
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.247

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
182.2 182.079 -3.59 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
13.13 - -3.26 -3.26 0 12 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL689. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AD - Osmotically acting laxatives
A06AD16 - mannitol

R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05C - EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05CB - Mucolytics
R05CB16 - mannitol

B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05C - IRRIGATING SOLUTIONS
B05CX - Other irrigating solutions
B05CX04 - mannitol

B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05B - I.V. SOLUTIONS
B05BC - Solutions producing osmotic diuresis
B05BC01 - mannitol

ChemSpider ChemSpider:FBPFZTCFMRRESA-KVTDHHQDSA-N
DailyMed mannitol
PubChem SID: 144205645 SID: 144208685 SID: 144210801 SID: 170465566 SID: 26757663 SID: 56322640
Wikipedia Mannitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL689



ACToR 133-43-7 123897-58-5
Atlas mannitol
Brenda 495 210609 1791
ChEBI 16899
ChemicalBook CB7720972 CB4720971
DrugBank DB00742
DrugCentral 935
eMolecules 483939
EPA CompTox Dashboard DTXSID30858955 DTXSID1023235
FDA SRS 3OWL53L36A
Human Metabolome Database HMDB0000765
IBM Patent System 40AF9765E2C78ECAC64B10BE125D200B
KEGG Ligand C00392
Metabolights MTBLC16899
MolPort MolPort-003-927-039
Nikkaji J2.369H
PDBe MTL
PubChem 6251
PubChem: Drugs of the Future 125299321
PubChem: Thomson Pharma 16045072 15195196
Rhea 16899
Selleck D-Mannitol(Osmitrol)
SureChEMBL SCHEMBL919
ZINC ZINC000002041302

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