CANAGLIFLOZIN

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Trade Names
Synonyms
Status
Molecule Category Mixture
ATC A10BK02
UNII 6S49DGR869

Structure

InChI Key XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
Smiles Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChI
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27FO6S
Molecular Weight 462.54
AlogP 2.97
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 2 inhibitor INHIBITOR DailyMed
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
2.2-910 2.2-684 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
2.2-910 2.2-684 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 73274
ChEMBL CHEMBL2048484
DrugBank DB08907
DrugCentral 4758
FDA SRS 6S49DGR869
Guide to Pharmacology 4582
SureChEMBL SCHEMBL157162
ZINC ZINC000043207238
ChEMBL CHEMBL4594217
FDA SRS B2L6AES9XQ
SureChEMBL SCHEMBL322059
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