THIOGUANINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII WIX31ZPX66
EPA CompTox DTXSID6023652

Structure

InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Smiles Nc1nc2[nH]cnc2c(=S)[nH]1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N5S
Molecular Weight 167.2
AlogP 0.6
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Polar Surface Area 83.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 11.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - - - 31
Enzyme Transferase
- - - - 51
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 2.3-21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107.95-108.66
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 107.95-108.66
Escherichia coli
- - - - 51
Homo sapiens
870.1-941.6 - - - 2.3-21
Mus musculus
- 300 - - -

Target Conservation

Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 2
Organism : Homo sapiens
P12268 ENSG00000178035
Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 1
Organism : Homo sapiens
P20839 ENSG00000106348

Related Entries

Cross References

Resources Reference
ChEBI 9555
ChEMBL CHEMBL727
DrugBank DB00352
DrugCentral 2632
FDA SRS WIX31ZPX66
Human Metabolome Database HMDB0014496
Guide to Pharmacology 6845
KEGG C07648
PDB DX4
PharmGKB PA451663
PubChem 91669166
SureChEMBL SCHEMBL3701
ZINC ZINC000006382803
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