compound 15 [PMID: 25411721]

Ligand id: 9078

Name: compound 15 [PMID: 25411721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 48.99
Molecular weight 387.17
XLogP 5.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Arista L, Hoegenauer K, Schmiedeberg N, Werner G, Jaksche H. (2007)
Amide derivatives and their application for the treatment of g protein related diseases.
Patent number: WO2007110237. Assignee: Novartis Ag., Arista L, Hoegenauer K, Schmiedeberg N, Werner G, Jaksche H. Priority date: 28/03/2006. Publication date: 04/10/2007.
2. Högenauer K, Arista L, Schmiedeberg N, Werner G, Jaksche H, Bouhelal R, Nguyen DG, Bhat BG, Raad L, Rauld C et al.. (2014)
G-protein-coupled bile acid receptor 1 (GPBAR1, TGR5) agonists reduce the production of proinflammatory cytokines and stabilize the alternative macrophage phenotype.
J. Med. Chem., 57 (24): 10343-54. [PMID:25411721]