thioguanine

Ligand id: 6845

Name: thioguanine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1966))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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®
Comments
Inhibits inosine-5'-monophosphate dehydrogenase 1.
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
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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

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Tocris
6-Thioguanine
Cat. No. 4061