LHVS

Ligand id: 9298

Name: LHVS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 113.19
Molecular weight 527.25
XLogP 6.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2R)-4-methyl-1-oxo-1-[[(E,3R)-5-phenyl-1-phenylsulfonylpent-1-en-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide
Synonyms
morpholinurea-leucine-homophenylalanine-vinylsulfone-phenyl | morpholinurea-leucine-homophenylalaninevinyl phenyl sulfone
Database Links
ChEMBL Ligand CHEMBL222649
PubChem CID 23648296
Search Google for chemical match using the InChIKey YUMYYTORLYHUFW-ZUDLOMHPSA-N
Search Google for chemicals with the same backbone YUMYYTORLYHUFW
Search UniChem for chemical match using the InChIKey YUMYYTORLYHUFW-ZUDLOMHPSA-N
Search UniChem for chemicals with the same backbone YUMYYTORLYHUFW
Comments
LHVS is a small molecule, vinyl sulfone type, tool compound, which inhibits cathepsins L and S with low nanomolar potency [1].
Cathepsin S inhibitors are being investigated for clinical utility in inflammatory conditions. LHVS is reported to have neuroprotective action in models of traumatic brain injury [2].