compound 76 [PMID: 28657314]

Ligand id: 9609

Name: compound 76 [PMID: 28657314]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 131.72
Molecular weight 576.25
XLogP 6.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Mortier E, Quéméner A, Vusio P, Lorenzen I, Boublik Y, Grötzinger J, Plet A, Jacques Y. (2006)
Soluble interleukin-15 receptor alpha (IL-15R alpha)-sushi as a selective and potent agonist of IL-15 action through IL-15R beta/gamma. Hyperagonist IL-15 x IL-15R alpha fusion proteins.
J. Biol. Chem., 281 (3): 1612-9. [PMID:16284400]
2. Quéméner A, Maillasson M, Arzel L, Sicard B, Vomiandry R, Mortier E, Dubreuil D, Jacques Y, Lebreton J, Mathé-Allainmat M. (2017)
Discovery of a Small-Molecule Inhibitor of Interleukin 15: Pharmacophore-Based Virtual Screening and Hit Optimization.
J. Med. Chem., 60 (14): 6249-6272. [PMID:28657314]