example 8 [WO1999033801A1]

Ligand id: 8581

Name: example 8 [WO1999033801A1]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 75.43
Molecular weight 347.13
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-1-[(2S)-2-aminobutanoyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-2,3-dihydroindole-2-carboxamide
Database Links
PubChem CID 57180216
Search Google for chemical match using the InChIKey GNYDXSHWPPTVEX-CMPLNLGQSA-N
Search Google for chemicals with the same backbone GNYDXSHWPPTVEX
Search UniChem for chemical match using the InChIKey GNYDXSHWPPTVEX-CMPLNLGQSA-N
Search UniChem for chemicals with the same backbone GNYDXSHWPPTVEX
Comments
Example 8 binds to and inhibits the activity of tripeptidyl peptidase II (TPP2) [1]. TPP2 is vital for essential processes such as antigen processing, apoptosis and cell division, with inhibitors predicted to have clinical potential in muscle wasting diseases, obesity, and cancer [2].