DAPAGLIFLOZIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A10BK01
UNII 1ULL0QJ8UC

Structure

InChI Key JVHXJTBJCFBINQ-ADAARDCZSA-N
Smiles CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
InChI
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClO6
Molecular Weight 408.88
AlogP 1.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
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 DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC02 family of hexose and sugar alcohol transporters
- - - - 8-8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
1.1-860 0.49-891 - - 69.7-103
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1.1-860 0.49-891 - - 8-103
Rattus norvegicus
3-3 - - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 85078
ChEMBL CHEMBL429910
DrugBank DB06292
DrugCentral 4304
FDA SRS 1ULL0QJ8UC
Guide to Pharmacology 4594
KEGG D08897
PubChem 9887712
SureChEMBL SCHEMBL157820
ZINC ZINC000003819138
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