Ligand id: 9496

Name: A-971432

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 49.77
Molecular weight 365.06
XLogP 3.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Harris CM, Hobson AD, Wilson NS. (2010)
Agonists and antagonists of the s1p5 receptor, and methods of uses thereof.
Patent number: WO2010093704. Assignee: Abbott Laboratories. Priority date: 10/02/2009. Publication date: 19/08/2010.
2. Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G et al.. (2015)
Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders.
J. Med. Chem., 58 (23): 9154-70. [PMID:26509640]