compound 1b [PMID: 16290936]

Ligand id: 8613

Name: compound 1b [PMID: 16290936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 55.4
Molecular weight 277.17
XLogP 5.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S)-1-phenylpropan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate
Database Links
CAS Registry No. 736144-17-5 (source: PubChem)
ChEMBL Ligand CHEMBL114161
GtoPdb PubChem SID 252166814
PubChem CID 44343301
Search Google for chemical match using the InChIKey WNKGMQLRHKONID-ZFWWWQNUSA-N
Search Google for chemicals with the same backbone WNKGMQLRHKONID
Search UniChem for chemical match using the InChIKey WNKGMQLRHKONID-ZFWWWQNUSA-N
Search UniChem for chemicals with the same backbone WNKGMQLRHKONID
Comments
Compound 1b is reported primarily as an inhibitor of cathepsin K, but also substantially inhibits cathepsin H [1].