L873724

Ligand id: 7860

Name: L873724

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 107.44
Molecular weight 481.16
XLogP 6.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Synonyms
L-873724
Database Links
ChEMBL Ligand CHEMBL437501
PubChem CID 9913088
Search Google for chemical match using the InChIKey VYFDSJLOCIGIKP-SFTDATJTSA-N
Search Google for chemicals with the same backbone VYFDSJLOCIGIKP
Search UniChem for chemical match using the InChIKey VYFDSJLOCIGIKP-SFTDATJTSA-N
Search UniChem for chemicals with the same backbone VYFDSJLOCIGIKP
Comments
This compound is a specific cathepsin K inhibitor [3] (compound 22 in the article), which is used as a functional probe in studying the effects of cathepsin K inhibition.