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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1661
CHEMBL1661
Compound Name LACTITOL
ChEMBL Synonyms LACTITOL | IMPORTAL
Max Phase 4 (Approved)
Trade Names IMPORTAL
Molecular Formula C12H24O11

Additional synonyms for CHEMBL1661 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O) ...
Download SMILES
Standard InChI InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21) ...
Download InChI
Standard InChI Key VQHSOMBJVWLPSR-JVCRWLNRSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1661

Molecule Features

CHEMBL1661 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov LACTITOL
The Cochrane Collaboration LACTITOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
344.3 344.1319 -5.76 8 200.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 9 2 11 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.84 - -4.68 -4.68 0 23 0.2

Structural Alerts

There are 3 structural alerts for CHEMBL1661. 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
A06AD12 - lactitol

ChemSpider ChemSpider:VQHSOMBJVWLPSR-JVCRWLNRSA-N
DailyMed lactulose
PubChem SID: 144205950 SID: 170465917

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1661



ACToR 585-86-4
Brenda 51752 106119 16455
ChEBI 75323
DrugBank DB12942
DrugCentral 1534
eMolecules 26985447
EPA CompTox Dashboard DTXSID9044247
FDA SRS L2B0WJF7ZY
IBM Patent System 8070A7CB4029220E0A12D511FC37D7A3
MolPort MolPort-006-069-327
Nikkaji J60.876I
PubChem 157355
PubChem: Thomson Pharma 14900491
SureChEMBL SCHEMBL3849
ZINC ZINC000005225520

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