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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL296306
CHEMBL296306
Compound Name LACTITOL
ChEMBL Synonyms PORTALAC | CHOLAC | BIFITERAL | GENERLAC | E966 | CONSTILAC | OSMOLAX | LAXILOSE | DUPHALAC | CHRONULAC | HEPTALAC | EVALOSE | DUPHALAC DRY | CEPHULAC | REGULOSE | LEMLAX | ENULOSE | ACILAC | LACTULOSE | CONSTULOSE | LAXOSE ORANGE
Max Phase 4 (Approved)
Trade Names LAXOSE ORANGE | PORTALAC | BIFITERAL | GENERLAC | CONSTILAC | LAXILOSE | OSMOLAX | CHRONULAC | DUPHALAC | CEPHULAC | DUPHALAC DRY | EVALOSE | HEPTALAC | ACILAC | ENULOSE | LEMLAX | REGULOSE | CHOLAC | CONSTULOSE | LACTULOSE
Molecular Formula C12H22O11

Additional synonyms for CHEMBL296306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-1 ...
Download InChI
Standard InChI Key JCQLYHFGKNRPGE-FCVZTGTOSA-N

Sources

  • British National Formulary
  • 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


CHEMBL296306

Molecule Features

CHEMBL296306 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Colonic bacteria substrate Not Available DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Dermatitis, AtopicD003876EFO:0000274atopic eczema2ClinicalTrials
Hepatic EncephalopathyD0065013ClinicalTrials
Premature BirthD047928EFO:0003917premature birth1ClinicalTrials
ConstipationD003248HP:0002019constipation3ClinicalTrials

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
342.3 342.1162 -5.4 5 189.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.28 - -2.88 -2.88 0 23 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL296306. 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
A06AD11 - lactulose

A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AD - Osmotically acting laxatives
A06AD61 - lactulose, combinations

ChemSpider ChemSpider:JCQLYHFGKNRPGE-FCVZTGTOSA-N
PubChem SID: 144204871 SID: 170464861 SID: 26754430
Wikipedia Lactulose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL296306



ACToR 29319-45-7 58166-24-8
BindingDB 50377984
Brenda 4093 48697
ChEBI 6359
DrugBank DB00581
eMolecules 713333
EPA CompTox Dashboard DTXSID5045833
FDA SRS 9XH2P2N8EP
Human Metabolome Database HMDB0000740
IBM Patent System F948F5E9D79CB3A9D279EBE41C6FE252
KEGG Ligand C07064
MolPort MolPort-003-666-217
Nikkaji J3.412F
PDBe W9T
PharmGKB PA164748762
PubChem 11333
PubChem: Thomson Pharma 15348532
SureChEMBL SCHEMBL18912
ZINC ZINC000003977952

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