General
Preferred name
NS-398
Synonyms
NS 398 ()
N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide ()
NS398 ()
NS-398 (NS398) ()
P&D ID
PD020834
CAS
123653-11-2
Tags
available
drug candidate
Drug indication
Endometriosis
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION NS-398 is a non-steroidal anti-inflammatory agent with potent analgesic and antipyretic effects. It inhibits cyclooxygenase 2 (COX2) . (GtoPdb)
DESCRIPTION EGFR-kinase inhibitor (Tocris Bioactive Compound Library)
Cell lines
3
Organisms
2
Compound Sets
14
AdooQ Bioactive Compound Library
A13116
Cayman Chemical Bioactives
70590
DrugBank
DB14060
DrugMAP
DMINUWH
EU-OPENSCREEN Bioactive Compound Library
EOS101772
Guide to Pharmacology
8976
Ki Database
NS398
Mcule NIBR MoA Box Subset
MCULE-8803868606
MedChem Express Bioactive Compound Library
HY-13913
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
ns-398-ns398
TargetMol Bioactive Compound Library
T3214
Tocris Bioactive Compound Library
0942
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
314.09
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
2.68
TPSA
98.54
Fraction CSP3
0.54
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Neuroscience
Target
COX-2
COX
Primary Target
Cyclooxygenases
MOA
Inhibitor
Cyclooxygenase-2 Inhibitors
Member status
member
Therapeutic Class
Analgesics
Source data