compound 1a [PMID: 15055993]

Ligand id: 6514

Name: compound 1a [PMID: 15055993]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 165.01
Molecular weight 424.09
XLogP 1.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4R,5S)-N,3,4,5-tetrahydroxy-1-[4-(phenoxy)phenyl]sulfonylpiperidine-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL61193
PubChem CID 9910222
Search Google for chemical match using the InChIKey WLWNRAWQDZRXMB-YLFCFFPRSA-N
Search Google for chemicals with the same backbone WLWNRAWQDZRXMB
Search UniChem for chemical match using the InChIKey WLWNRAWQDZRXMB-YLFCFFPRSA-N
Search UniChem for chemicals with the same backbone WLWNRAWQDZRXMB
Comments
Matrix metalloproteinase-9 inhibitor as potential antipsoriatic agent