compound 101 [PMID: 21596927]

Ligand id: 8437

Name: compound 101 [PMID: 21596927]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 84.73
Molecular weight 466.17
XLogP 6.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Fujiwara S, Ikeda S, Kaneko M. (2007)
Cardiotonic agent comprising grk inhibitor.
Patent number: WO2007034846 A1. Assignee: Fujiwara S, Ikeda S, Kaneko M, Takeda Pharmaceutical.. Priority date: 22/09/2005. Publication date: 29/03/2007.
2. Lowe JD, Sanderson HS, Cooke AE, Ostovar M, Tsisanova E, Withey SL, Chavkin C, Husbands SM, Kelly E, Henderson G et al.. (2015)
Role of G Protein-Coupled Receptor Kinases 2 and 3 in μ-Opioid Receptor Desensitization and Internalization.
Mol. Pharmacol., 88 (2): 347-56. [PMID:26013542]
3. Thal DM, Yeow RY, Schoenau C, Huber J, Tesmer JJ. (2011)
Molecular mechanism of selectivity among G protein-coupled receptor kinase 2 inhibitors.
Mol. Pharmacol., 80 (2): 294-303. [PMID:21596927]