mercaptopurine

Ligand id: 7226

Name: mercaptopurine

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View more information in the IUPHAR Pharmacology Education Project: 6-mercaptopurine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 93.26
Molecular weight 152.02
XLogP 0.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
Prodrug azathioprine
IUPAC Name
9H-purine-6-thiol
International Nonproprietary Names
INN number INN
587 mercaptopurine
Synonyms
6-mercaptopurine | Purinethol®
Database Links
CAS Registry No. 50-44-2
ChEMBL Ligand CHEMBL1425
DrugBank Ligand DB01033
GtoPdb PubChem SID 178103800
PubChem CID 667490
RCSB PDB Ligand PM6
Search Google for chemical match using the InChIKey GLVAUDGFNGKCSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GLVAUDGFNGKCSF
Search PubMed clinical trials mercaptopurine
Search PubMed titles mercaptopurine
Search PubMed titles/abstracts mercaptopurine
Search UniChem for chemical match using the InChIKey GLVAUDGFNGKCSF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GLVAUDGFNGKCSF
Wikipedia Mercaptopurine
Comments
Mercaptopurine has immunosuppressive action as well as antineoplastic activity.