Ligand id: 6845

Name: thioguanine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 0
Topological polar surface area 110.85
Molecular weight 168.03
XLogP -0.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Elgemeie GH. (2003)
Thioguanine, mercaptopurine: their analogs and nucleosides as antimetabolites.
Curr. Pharm. Des., 9 (31): 2627-42. [PMID:14529546]
2. Moreau AC, Paul S, Del Tedesco E, Rinaudo-Gaujous M, Boukhadra N, Genin C, Peyrin-Biroulet L, Roblin X. (2014)
Association between 6-thioguanine nucleotides levels and clinical remission in inflammatory disease: a meta-analysis.
Inflamm. Bowel Dis., 20 (3): 464-71. [PMID:24418904]
3. Vethe NT, Bremer S, Bergan S. (2008)
IMP dehydrogenase basal activity in MOLT-4 human leukaemia cells is altered by mycophenolic acid and 6-thioguanosine.
Scand. J. Clin. Lab. Invest., 68 (4): 277-85. [PMID:18609073]