mercaptopurine
CHEBI:50667
·resolve ·ANTIVIRAL
·EXACT
SEEDED
A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C5H4N4S |
|---|
| Charge | 0 |
|---|
| Average mass | 152.182 Da |
|---|
| Monoisotopic mass | 152.01567 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
|---|
SMILES
S=c1ncnc2ncnc12
InChI
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
Also called
- Puri-Nethol (BRAND_NAME)— chebi
- Purinethol (BRAND_NAME)— chebi
- Mercaptopurina (INN)— chebi
- mercaptopurinum (INN)— chebi
- 1,7-dihydro-6H-purine-6-thione (EXACT_SYNONYM)— chebi
- 6 MP (EXACT_SYNONYM)— chebi
- 6-MP (EXACT_SYNONYM)— chebi
- 6-Mercaptopurine (EXACT_SYNONYM)— chebi
- 6-Thiohypoxanthine (EXACT_SYNONYM)— chebi
- 6-Thioxopurine (EXACT_SYNONYM)— chebi
- Mercaptopurine (EXACT_SYNONYM)— chebi
- Mercapurin (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:50667 |
mercaptopurine |
antibioticmech:chebi-ebc3591b4a |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.