ACT-335827

Ligand id: 9122

Name: ACT-335827

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 69.26
Molecular weight 518.28
XLogP 6.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Steiner MA, Gatfield J, Brisbare-Roch C, Dietrich H, Treiber A, Jenck F, Boss C. (2013)
Discovery and characterization of ACT-335827, an orally available, brain penetrant orexin receptor type 1 selective antagonist.
ChemMedChem8 (6): 898-903. [PMID:23589487]