chlortetracycline
naturalproductmech:mibig-8252d9cf90 MINTED SEEDED cytotoxicenzyme inhibitor
Structure
| Standard InChIKey | DHPRQBPJLMKORJ-RQWFMOQPSA-N |
|---|---|
| SMILES | C[C@@]1(C2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:54676345 |
Filing pathway
Polyketides — 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 pks, 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 |
|---|---|---|---|
| Kitasatospora aureofaciens NCBITaxon:1894 |
SOURCE_ASSERTION | mibig:BGC0000209 | PMID:23800859 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000209 | Kitasatospora aureofaciens NCBITaxon:1894 |
CLUSTER_UNSTATED | genbank:HM627755.1 |
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.
Bioactivities 12
| Assay | Result | Reference |
|---|---|---|
| Primary fluorescence-based thiol-reactive (MSTI) qHTS assay for identification of artifact compounds. | 1.6834 uM | pubchem.aid:1845221 |
| Primary qHTS for Inhibitors of N-terminal methyltransferase 1 (NTMT1): MTaseGlo Assay | 28.1838 uM | pubchem.aid:1645870 |
| Primary qHTS for Inhibitors of N-terminal methyltransferase 1 (NTMT1): MTaseGlo Assay | 28.1838 uM | pubchem.aid:1645870 |
| Primary qHTS for small molecule compounds that upregulate eGFP-tagged delta133p53alpha (in N-terminal) cells. | 23.9341 uM | pubchem.aid:2060322 |
| Primary qHTS for small molecule compounds that upregulate eGFP-tagged delta133p53alpha (in N-terminal) cells. | 23.9341 uM | pubchem.aid:2060322 |
| Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compounds | 15.8489 uM | pubchem.aid:2202548 |
| Primary redox qHTS assay for identification of artifact compounds. | 29.9349 uM | pubchem.aid:1845223 |
| qHTS for Inhibitors of the Aldehyde Dehydrogenase Family (ALDH1A2) Primary screen | 1.5849 uM | pubchem.aid:2202376 |
| High Throughput Screen to Identify Inhibitors of Mycobacterium tuberculosis H37Rv | ACTIVE | pubchem.aid:1332 |
| qHTS for Inhibitors of the Aldehyde Dehydrogenase Family (ALDH1A2) Confirmation screens | ACTIVE | pubchem.aid:2061314 |
| qHTS for Inhibitors of the Aldehyde Dehydrogenase Family (ALDH1A2) Confirmation screens | ACTIVE | pubchem.aid:2061314 |
| qHTS for Inhibitors of the Aldehyde Dehydrogenase Family (ALDH3A1) Primary screen | ACTIVE | pubchem.aid:2202377 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000209 | MIBIG | 5 |
This page is generated from data/natural_products/polyketides/chlortetracycline.yaml, which is generated from the committed inventories. Neither is edited by hand.