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
GtoPdb PubChem SID 310264756
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].