SOTAGLIFLOZIN

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BK06
UNII: 6B4ZBS263Y

Structure
InChI Key QKDRXGFQVGOQKS-CRSSMBPESA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Sodium/glucose cotransporter 1 inhibitor
Primary Target
Sodium/glucose cotransporter 1
Sodium/glucose cotransporter 2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 6.112-24.11
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2-25.81
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
- 1.5-1.8 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 4 D051436 FDA
Heart Disease Risk Factors 4 D000082742 FDA
Heart Failure 4 D006333 ClinicalTrials
Diabetes Mellitus, Type 2 4 D003924 ClinicalTrials
Cardiomyopathy, Hypertrophic 3 D002312 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Cardiomyopathies 1 D009202 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1018899-04-1
ChEMBL CHEMBL3039507
DrugBank DB12713
DrugCentral 5339
EPA CompTox DTXSID20144314
FDA SRS 6B4ZBS263Y
Guide to Pharmacology 8312
PDB LFL
PubChem 24831714
SureChEMBL SCHEMBL1038287
ZINC ZINC000095641922
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