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
Database Links
CAS Registry No. 1226781-44-7
ChEMBL Ligand CHEMBL2105762
PubChem CID 46209133
Search Google for chemical match using the InChIKey MKMPWKUAHLTIBJ-ISTRZQFTSA-N
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Search UniChem for chemical match using the InChIKey MKMPWKUAHLTIBJ-ISTRZQFTSA-N
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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.