thioguanine   Click here for help

GtoPdb Ligand ID: 6845

Synonyms: 6-mercaptoguanine | 6-thioguanine | Lanvis® | Tabloid®
Approved drug PDB Ligand
thioguanine is an approved drug (FDA (1966))
Compound class: Synthetic organic
Comment: Inhibits inosine-5'-monophosphate dehydrogenase 1.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 115.47
Molecular weight 167.03
XLogP 0.6
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nc(=S)c2c([nH]1)nc[nH]2
Isomeric SMILES Nc1nc(=S)c2c([nH]1)nc[nH]2
InChI InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
inosine monophosphate dehydrogenase 1 Primary target of this compound Hs Inhibitor Inhibition - - - 1,3
inosine monophosphate dehydrogenase 2 Primary target of this compound Hs Inhibitor Inhibition - - - 1,3