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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11104 enavogliflozin
Synonyms Click here for help
compound 14g [PMID: 34813882] | DWP-16001 | DWP16001 | GCC-5694A | GCC5694A
Database Links Click here for help
BindingDB Ligand 159529
CAS Registry No. 1415472-28-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL3703921
GtoPdb PubChem SID 461663460
PubChem CID 71076840
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