niflumic acid

Ligand id: 2439

Name: niflumic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 62.22
Molecular weight 282.06
XLogP 4.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
International Nonproprietary Names
INN number INN
2194 niflumic acid
Database Links
BitterDB Ligand 941
CAS Registry No. 4394-00-7
ChEMBL Ligand CHEMBL63323
DrugBank Ligand DB04552
PubChem CID 4488
RCSB PDB Ligand NFL
Search Google for chemical match using the InChIKey JZFPYUNJRRFVQU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JZFPYUNJRRFVQU
Search PubMed clinical trials niflumic acid
Search PubMed titles niflumic acid
Search PubMed titles/abstracts niflumic acid
Search UniChem for chemical match using the InChIKey JZFPYUNJRRFVQU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JZFPYUNJRRFVQU
Wikipedia Niflumic_acid
Comments
Niflumic acid is used clinically as an anti-inflammatory agent due to its action as a cyclooxygenase-2 (COX-2) inhibitor.