nimesulide

Ligand id: 7401

Name: nimesulide

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 308.05
XLogP 3.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Ottanà R, Carotti S, Maccari R, Landini I, Chiricosta G, Caciagli B, Vigorita MG, Mini E. (2005)
In vitro antiproliferative activity against human colon cancer cell lines of representative 4-thiazolidinones. Part I.
Bioorg. Med. Chem. Lett.15 (17): 3930-3. [PMID:15993594]
2. Pochini L, Seidita A, Sensi C, Scalise M, Eberini I, Indiveri C. (2014)
Nimesulide binding site in the B0AT1 (SLC6A19) amino acid transporter. Mechanism of inhibition revealed by proteoliposome transport assay and molecular modelling.
Biochem. Pharmacol.89 (3): 422-30. [PMID:24704252]