pentostatin
CHEBI:27834 EXACT SEEDED antimicrobial unspecified
A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.
Structure
| Standard InChIKey | FPVKHBSQESCIEP-JQCXWYLXSA-N |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O |
| Stereochemistry | fully defined |
Filing pathway
Alkaloids — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is other, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Streptomyces antibioticus NCBITaxon:1890 |
SOURCE_ASSERTION | mibig:BGC0001735 | PMID:28111097 |
Occurrences 3
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Aspergillus nidulans NCBITaxon:162425 |
CHEBI | 10.1080/00021369.1979.10863817 |
| Streptomyces antibioticus NCBITaxon:1890 |
LOTUS | DOI:10.1111/J.1749-6632.1977.TB21933.X |
| Streptomyces antibioticus NCBITaxon:1890 |
LOTUS | DOI:10.7164/ANTIBIOTICS.45.1914 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001735 | Streptomyces antibioticus NCBITaxon:1890 |
CLUSTER_UNSTATED | genbank:KJ856912.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Causal graph — bioactivity 2 nodes, 1 edges
Pentostatin inhibition of Streptomyces antibioticus NRRL 3238 adenosine deaminase 3.
| Subject | Predicate | Object | Evidence |
|---|---|---|---|
| pentostatin | inhibits | S. antibioticus adenosine deaminase 3 | DOI:10.1016/j.chembiol.2016.12.012 |
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Molecular targets 2
| Target | Assay organism | Measurement | Reference |
|---|---|---|---|
| Adenosine deaminase | Streptomyces antibioticus NCBITaxon:1890 |
KI 2.1 nM | PMID:28111097 |
| Adenosine deaminase | Streptomyces antibioticus NCBITaxon:1890 |
KI 1 nM | PMID:28111097 |
Elsewhere in the fleet
- AntibioticMech — CHEBI:27834 (same structure, same inchikey)
Open questions 1
name-disagreement — ChEBI calls this structure 'pentostatin' and MIBiG calls it 'pentostatine'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001735 | MIBIG | 5 |
| CHEBI:27834 | CHEBI | 3-star |
This page is generated from data/natural_products/alkaloids/pentostatin.yaml, which is generated from the committed inventories. Neither is edited by hand.