NS-398

Ligand id: 8976

Name: NS-398

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.92
Molecular weight 314.09
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
Synonyms
NS 398
Database Links
BindingDB Ligand 50029593
ChEMBL Ligand CHEMBL7162
PubChem CID 4553
RCSB PDB Ligand NS4
Search Google for chemical match using the InChIKey KTDZCOWXCWUPEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KTDZCOWXCWUPEO
Search UniChem for chemical match using the InChIKey KTDZCOWXCWUPEO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KTDZCOWXCWUPEO
Comments
NS-398 is a non-steroidal anti-inflammatory agent with potent analgesic and antipyretic effects. It inhibits cyclooxygenase 2 (COX2) [1-2].