compound 15c [PMID: 21536437]

Ligand id: 8553

Name: compound 15c [PMID: 21536437]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 106.61
Molecular weight 539.22
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[[4-[2-(4-chloro-2-methylphenyl)ethyl]piperidin-1-yl]sulfonylmethyl]-1-(cyclobutanecarbonyl)piperidin-4-yl]-N-hydroxyformamide
Database Links
ChEMBL Ligand CHEMBL1784369
PubChem CID 54585928
Search Google for chemical match using the InChIKey SIXCEPSXNLUZTE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SIXCEPSXNLUZTE
Search UniChem for chemical match using the InChIKey SIXCEPSXNLUZTE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SIXCEPSXNLUZTE
Comments
Compound 15c is reported as an inhibitor of ADAM metallopeptidase with thrombospondin type 1 motif, 4 (ADAMTS4 aka aggrecanase-1) and ADAM metallopeptidase with thrombospondin type 1 motif, 5 ((ADAMTS5 aka aggrecanase-2) [1].