Molecule Details
InChIKeyQGJUIPDUBHWZPV-SGTAVMJGSA-N
Compound NameSaxagliptin
Canonical SMILESN#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.48
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06335
Drug NameSaxagliptin
CAS Number361442-04-8
Groups approved investigational
ATC Codes A10BD21 A10BD25 A10BH03 A10BD10
DescriptionSaxagliptin (rINN) is an orally active hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. FDA approved on July 31, 2009.

Categories: Agents causing angioedema Alimentary Tract and Metabolism Amino Acids, Peptides, and Proteins Blood Glucose Lowering Agents Bridged-Ring Compounds Cycloparaffins Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates DPP-IV Inhibitors Drugs Used in Diabetes Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hypoglycemia-Associated Agents Incretins OAT3/SLC22A8 Substrates Oligopeptides Oral Hypoglycemics Peptides Protease Inhibitors
Cross-references: BindingDB: 50225074 ChEBI: 71272 CHEMBL385517 ChemSpider: 9419005 Drugs Product Database (DPD): 20524 D08996 PharmGKB: PA165958362 PubChem:11243969 PubChem:99443245 RxCUI: 1546030 Wikipedia: Saxagliptin
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P27487 DPP4 Homo sapiens Human PF00930 PF00326 8.8 IC50 ChEMBL
Q86TI2 DPP9 Homo sapiens Human PF19520 PF00930 PF00326 7.0 IC50 ChEMBL
Q6V1X1 DPP8 Homo sapiens Human PF19520 PF00930 PF00326 6.6 IC50 ChEMBL
DrugBank Target Actions (6)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P27487 DPP4 Dipeptidyl peptidase 4 inhibitor targets
P33527 ABCC1 Multidrug resistance-associated protein 1 substrate transporters
Q6ZQN7 SLCO4C1 Solute carrier organic anion transporter family member 4C1 substrate transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 substrate transporters