SOTAGLIFLOZIN

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Synonyms
Status
Molecule Category Free-form
ATC A10BK06
UNII 6B4ZBS263Y
EPA CompTox DTXSID20144314

Structure

InChI Key QKDRXGFQVGOQKS-CRSSMBPESA-N
Smiles CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
InChI
InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClO5S
Molecular Weight 424.95
AlogP 3.17
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 79.15
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 1 inhibitor INHIBITOR PubMed
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
- 1.5-36.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.5-36.2 - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3039507
DrugBank DB12713
DrugCentral 5339
FDA SRS 6B4ZBS263Y
Guide to Pharmacology 8312
PubChem 24831714
SureChEMBL SCHEMBL1038287
ZINC ZINC000095641922
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