LACTULOSE

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Search structure


Trade Names	ACILAC CEPHULAC CHOLAC CHRONULAC CONSTILAC CONSTULOSE DUPHALAC ENULOSE EVALOSE GENERLAC HEPTALAC LACTULOSE LAXILOSE PORTALAC
Synonyms	4-galactosyl fructose Acilac Bifiteral Cephulac Cholac Chronulac Constilac Constulose Duphalac Duphalac dry E966 Enulose Evalose Generlac Heptalac Lactulose Lactulose jp17 Laxilose Laxose orange Lemlax NSC-757082 Osmolax Portalac Regulose
Status
Molecule Category	UNKNOWN
ATC	A06AD11
UNII	9XH2P2N8EP
EPA CompTox	DTXSID5045833


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	JCQLYHFGKNRPGE-FCVZTGTOSA-N
Smiles	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[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

Bioactivity

Mechanism of Action	Action	Reference
Colonic bacteria substrate	None	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

Assay Description	Organism	Bioactivity	Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	90.31 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	104.92 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	12.66 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	32.94 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.17 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.17 %

Related Entries

Cross References

Resources	Reference
ChEBI	6359
ChEMBL	CHEMBL296306
DrugBank	DB00581
FDA SRS	9XH2P2N8EP
Human Metabolome Database	HMDB0000740
KEGG	C07064
PharmGKB	PA164748762
SureChEMBL	SCHEMBL18912
ZINC	ZINC000003977952

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).