licogliflozin   Click here for help

GtoPdb Ligand ID: 10654

Synonyms: example 62 [WO2011048112A1] | LIK-066 | LIK066
Compound class: Synthetic organic
Comment: Licogliflozin (LIK-066) is an orally bioactive inhibitor of sodium/glucose cotransporters 1 and 2 (SGLT1, SGLT2). It was developed by Novartis for the treatment of obesity, non-alcoholic steatohepatitis, and type 2 diabetes, but the program was discontinued in 2018 [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 108.61
Molecular weight 416.18
XLogP 2.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric SMILES OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O
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
InChI Key XFJAMQQAAMJFGB-ZQGJOIPISA-N