enavogliflozin   Click here for help

GtoPdb Ligand ID: 11905

Synonyms: compound 14g [PMID: 34813882] | DWP-16001 | DWP16001 | GCC-5694A | GCC5694A
Compound class: Synthetic organic
Comment: Enavogliflozin (DWP16001) is a selective and competitive sodium/glucose cotransporter 2 (SGLT2; SLC5A2) inhibitor [1]. The structure is identical to that of GCC5694A which was disclosed in early 2022 [2].
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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 99.38
Molecular weight 446.15
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(Cc2ccc(cc2)C2CC2)c(c2c1CCO2)Cl
Isomeric SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2c1CCO2
InChI InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1
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Molecular structure representations generated using Open Babel