Ligand id: 5154

Name: BRL50481

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 88.9
Molecular weight 244.05
XLogP 1.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Alaamery MA, Wyman AR, Ivey FD, Allain C, Demirbas D, Wang L, Ceyhan O, Hoffman CS. (2010)
New classes of PDE7 inhibitors identified by a fission yeast-based HTS.
J Biomol Screen, 15 (4): 359-67. [PMID:20228279]
2. Smith SJ, Cieslinski LB, Newton R, Donnelly LE, Fenwick PS, Nicholson AG, Barnes PJ, Barnette MS, Giembycz MA. (2004)
Discovery of BRL 50481 [3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzene], a selective inhibitor of phosphodiesterase 7: in vitro studies in human monocytes, lung macrophages, and CD8+ T-lymphocytes.
Mol. Pharmacol., 66 (6): 1679-89. [PMID:15371556]