Ligand id: 8766

Name: JNJ-63533054

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.2
Molecular weight 316.1
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dvorak CA, Coate H, Nepomuceno D, Wennerholm M, Kuei C, Lord B, Woody D, Bonaventure P, Liu C, Lovenberg T et al.. (2015)
Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor.
ACS Med Chem Lett, 6 (9): 1015-8. [PMID:26396690]
2. Dvorak CA, Liu C, Kuei C. (2014)
Physiological ligands for gpr139.
Patent number: WO2014152917 A2. Assignee: Janssen Pharmaceutica Nv. Priority date: 14/03/2013. Publication date: 25/09/2014.
3. Liu C, Bonaventure P, Lee G, Nepomuceno D, Kuei C, Wu J, Li Q, Joseph V, Sutton SW, Eckert W et al.. (2015)
GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine.
Mol. Pharmacol., 88 (5): 911-25. [PMID:26349500]
4. Shoblock JR, Welty N, Fraser I, Wyatt R, Lord B, Lovenberg T, Liu C, Bonaventure P. (2019)
In vivo Characterization of a Selective, Orally Available, and Brain Penetrant Small Molecule GPR139 Agonist.
Front Pharmacol, 10: 273. DOI: 10.3389/fphar.2019.00273 [PMID:30949055]