omarigliptin

Ligand id: 8402

Name: omarigliptin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 98.83
Molecular weight 398.12
XLogP 0.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Synonyms
MK-3102 | MK3102
Comments
Omarigliptin is an investigational long-acting inhibitor of dipeptidyl peptidase 4 (DPP4) [1]. The first DPP4 inhibitor to be clinically approved was sitagliptin. This has subsequently been joined by several more drugs such as vildagliptin, saxagliptin, linagliptin and alogliptin.
Database Links
CAS Registry No. 1226781-44-7
ChEMBL Ligand CHEMBL2105762
GtoPdb PubChem SID 252166612
PubChem CID 46209133
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