ZY15557

Ligand id: 9627

Name: ZY15557

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 81.01
Molecular weight 370.12
XLogP 0.13
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-(2,2-dioxo-1,3,4,6-tetrahydrothieno[3,4-c]pyrrol-5-yl)oxan-3-amine
Database Links
PubChem CID 90127874
Search Google for chemical match using the InChIKey ROFOCLOPXHFEIE-XOKHGSTOSA-N
Search Google for chemicals with the same backbone ROFOCLOPXHFEIE
Search UniChem for chemical match using the InChIKey ROFOCLOPXHFEIE-XOKHGSTOSA-N
Search UniChem for chemicals with the same backbone ROFOCLOPXHFEIE
Comments
This DPP-4 inhibitor as a potential treatment for type 2 diabetes mellitus. ZY15557 is from the Indian company Zydus Research Centre, Cadila Healthcare [2]. The structure corresponds to example 17 in [1]. The patent includes 257 analogues but binned IC50s for only 50.