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

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-[6-amino-8-[(4-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Database Links
PubChem CID 59460354
Search Google for chemical match using the InChIKey YJLIKUSWRSEPSM-WGQQHEPDSA-N
Search Google for chemicals with the same backbone YJLIKUSWRSEPSM
Search UniChem for chemical match using the InChIKey YJLIKUSWRSEPSM-WGQQHEPDSA-N
Search UniChem for chemicals with the same backbone YJLIKUSWRSEPSM
Comments
Compound 48 is an 8-aminoadenosine derivative reported as a novel inhibitor of the human sodium/nucleoside cotransporter 2 (CNT2, gene symbol SLC28A2) [1]. As 'Example 54' this compound is protected by patent US20070179115 [2].