Molecule Details
InChIKeyXTNGUQKDFGDXSJ-ZXGKGEBGSA-N
Compound NameCanagliflozin
Canonical SMILESCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.03
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08907
Drug NameCanagliflozin
CAS Number842133-18-0
Groups approved investigational
ATC Codes A10BD16 A10BK02
DescriptionCanagliflozin, also known as _Invokana_, is a sodium-glucose cotransporter 2 (SGLT2) inhibitor used in the management of type 2 diabetes mellitus along with lifestyle changes including diet and exercise [FDA label]. It was initially approved by the FDA in 2013 for the management of diabetes and late...

Categories: Agents causing hyperkalemia Alimentary Tract and Metabolism Blood Glucose Lowering Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Diuretics Drugs Used in Diabetes Drugs that are Mainly Renally Excreted Glucosides Hypotensive Agents Oral Hypoglycemics P-glycoprotein inhibitors P-glycoprotein substrates Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors Sulfur Compounds Thiophenes UGT1A9 Substrates
Cross-references: BindingDB: 50386885 ChEBI: 73274 CHEMBL2048484 ChemSpider: 26333259 Drugs Product Database (DPD): 22295 D09592 PDB: L3R PubChem:24812758 PubChem:175427146 RxCUI: 1373458 Wikipedia: Canagliflozin ZINC: ZINC000043207238
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P31639 SLC5A2 Homo sapiens Human PF00474 8.6 IC50 ChEMBL;BindingDB
P13866 SLC5A1 Homo sapiens Human PF00474 6.3 IC50 ChEMBL;BindingDB
Q9YQ12 protease Human immunodeficiency virus type 1 Pathogen PF00077 6.2 Ki ChEMBL
DrugBank Target Actions (9)
Target Gene Target Name Action Type
P02763 P02763 Alpha-1-acid glycoprotein 1 substrate carriers
O60656 O60656 UDP-glucuronosyltransferase 1A9 substrate enzymes
P06133 P06133 UDP-glucuronosyltransferase 2B4 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P31639 SLC5A2 Sodium/glucose cotransporter 2 inhibitor targets
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 binder transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 substrate transporters