BMS-986121

Ligand id: 9156

Name: BMS-986121

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 76.63
Molecular weight 365.99
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bisignano P, Burford NT, Shang Y, Marlow B, Livingston KE, Fenton AM, Rockwell K, Budenholzer L, Traynor JR, Gerritz SW et al.. (2015)
Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor.
J Chem Inf Model55 (9): 1836-43. [PMID:26347990]
2. Burford N, Alt A. (2014)
Positive allosteric modulators and silent allosteric modulators of the opioid receptor.
Patent number: WO2014107344. Assignee: Bristol-Myers Squibb Company. Priority date: 04/01/2013. Publication date: 10/07/2014.
3. Burford NT, Clark MJ, Wehrman TS, Gerritz SW, Banks M, O'Connell J, Traynor JR, Alt A. (2013)
Discovery of positive allosteric modulators and silent allosteric modulators of the μ-opioid receptor.
Proc. Natl. Acad. Sci. U.S.A.110 (26): 10830-5. [PMID:23754417]