Molecule Details
InChIKeySYOKIDBDQMKNDQ-XWTIBIIYSA-N
Compound NameVildagliptin
Canonical SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.92
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04876
Drug NameVildagliptin
CAS Number274901-16-5
Groups approved investigational
ATC Codes A10BH02 A10BD08
DescriptionVildagliptin (LAF237) is an orally active antihyperglycemic agent that selectively inhibits the dipeptidyl peptidase-4 (DPP-4) enzyme. It is used to manage type II diabetes mellitus, where GLP-1 secretion and insulinotropic effects are impaired.[A232488] By inhibiting DPP-4, vildagliptin prevents th...

Categories: Agents causing angioedema Alimentary Tract and Metabolism Blood Glucose Lowering Agents Bridged-Ring Compounds Cycloparaffins DPP-IV Inhibitors Drugs Used in Diabetes Enzyme Inhibitors Glucagon-Like Peptide 1 Nitriles Oral Hypoglycemics P-glycoprotein substrates Protease Inhibitors Pyrrolidines
Cross-references: BindingDB: 11695 ChEBI: 135285 CHEMBL142703 ChemSpider: 5293734 PharmGKB: PA165958346 PubChem:6918537 PubChem:99443227 RxCUI: 596554 Wikipedia: Vildagliptin
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P27487 DPP4 Homo sapiens Human PF00930 PF00326 7.6 IC50 ChEMBL
Q86TI2 DPP9 Homo sapiens Human PF19520 PF00930 PF00326 7.0 IC50 ChEMBL
Q6V1X1 DPP8 Homo sapiens Human PF19520 PF00930 PF00326 6.1 Ki ChEMBL
DrugBank Target Actions (2)
Target Gene Target Name Action Type
P27487 DPP4 Dipeptidyl peptidase 4 inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters