LACTULOSE

Search structure
Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A06AD11
UNII: 9XH2P2N8EP

Structure
InChI Key JCQLYHFGKNRPGE-FCVZTGTOSA-N
Smile OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O11
Molecular Weight 342.3
AlogP -5.4
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 5.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
None Colonic bacteria substrate PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 105

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brain Diseases 3 D001927 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Premature Birth 1 D047928 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
23.01
General disorders and administration site conditions
13.05
Nervous system disorders
10.86
Injury, poisoning and procedural complications
6.32
Vascular disorders
5.92
Psychiatric disorders
4.94
Skin and subcutaneous tissue disorders
4.94
Investigations
4.62
Respiratory, thoracic and mediastinal disorders
4.21
Metabolism and nutrition disorders
3.73
Cardiac disorders
3.16
Musculoskeletal and connective tissue disorders
2.51
Immune system disorders
2.43
Product issues
2.11

Cross References

Resources Reference
CAS NUMBER 4618-18-2
ChEBI 6359
ChEMBL CHEMBL296306
DrugBank DB00581
EPA CompTox DTXSID5045833
FDA SRS 9XH2P2N8EP
Human Metabolome Database HMDB0000740
KEGG C07064
PharmGKB PA164748762
SureChEMBL SCHEMBL18912
ZINC ZINC000003977952
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