LICOGLIFLOZIN

/static/temp/default.svg

Search structure


Synonyms	LIK-066 LIK066 Licogliflozin Lik066
Status
Molecule Category	UNKNOWN
UNII	57J06X6EI0


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

Structure


InChI Key	XFJAMQQAAMJFGB-ZQGJOIPISA-N
Smiles	CCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2
InChI	InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H28O7
Molecular Weight	416.47
AlogP	1.13
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	108.61
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Bioactivity

Mechanism of Action	Action	Reference
Sodium/glucose cotransporter 1 inhibitor	INHIBITOR	PubMed PubMed


Protein: Sodium/glucose cotransporter 1 Description: Sodium/glucose cotransporter 1 Organism : Homo sapiens P13866 ENSG00000100170











Protein: Sodium/glucose cotransporter 2 Description: Sodium/glucose cotransporter 2 Organism : Homo sapiens P31639 ENSG00000140675

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters	-	1	-	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of SGLT1 (unknown origin)	Homo sapiens	0.5 nM
Inhibition of SGLT2 (unknown origin)	Homo sapiens	0.5 nM

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL4297625
DrugBank	DB15048
FDA SRS	57J06X6EI0
Guide to Pharmacology	10654
PubChem	52913524
SureChEMBL	SCHEMBL1670083

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).