compound 48 [PMID: 25815140]

Ligand id: 8485

Name: compound 48 [PMID: 25815140]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 151.57
Molecular weight 448.19
XLogP 4.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Tatani K, Hiratochi M, Nonaka Y, Isaji M, Shuto S. (2015)
Identification of 8-aminoadenosine derivatives as a new class of human concentrative nucleoside transporter 2 inhibitors.
ACS Med Chem Lett, 6 (3): 244-8. [PMID:25815140]
2. Tatani K, Nonaka Y, Kikuchi N. (2007)
Purinenucleoside derivative modified in 8-position and medical use thereof.
Patent number: US20070179115 A1. Assignee: Tatani K, Nonaka Y, Kikuchi N.. Priority date: 17/09/2004. Publication date: 02/08/2007.