TOFOGLIFLOZIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
UNII 554245W62T
EPA CompTox DTXSID90238097

Structure

InChI Key VWVKUNOPTJGDOB-BDHVOXNPSA-N
Smiles CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChI
InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26O6
Molecular Weight 386.44
AlogP 1.0
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 99.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 2 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
- 2.9-4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.9-4 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 136041
ChEMBL CHEMBL2110731
DrugBank DB11824
DrugCentral 4892
FDA SRS 554245W62T
Guide to Pharmacology 9395
PubChem 46908928
SureChEMBL SCHEMBL903156
ZINC ZINC000035826342
ChEMBL CHEMBL2105711
FDA SRS P8DD8KX4O4
Guide to Pharmacology 9395
PubChem 46908928
SureChEMBL SCHEMBL19328161
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