thioguanine

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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1966))
IUPAC Name
2-amino-6,7-dihydro-3H-purine-6-thione
International Nonproprietary Names
INN number INN
1998 tioguanine
Synonyms
6-mercaptoguanine | 6-thioguanine | Lanvis® | Tabloid®
Database Links
CAS Registry No. 154-42-7
ChEMBL Ligand CHEMBL727
DrugBank Ligand DB00352
GtoPdb PubChem SID 178103451
PubChem CID 2723601
RCSB PDB Ligand DX4
Search Google for chemical match using the InChIKey WYWHKKSPHMUBEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WYWHKKSPHMUBEB
Search PubMed clinical trials tioguanine
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Search UniChem for chemical match using the InChIKey WYWHKKSPHMUBEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WYWHKKSPHMUBEB
Wikipedia Thioguanine
Comments
Inhibits inosine-5'-monophosphate dehydrogenase 1.