Detailed information for compound 1787330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.459 | Formula: C18H33NO4
  • H donors: 2 H acceptors: 4 LogP: 5.01 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCN(C(=O)CCCCCCCCC1CCCCC1)O
  • InChi: 1S/C18H33NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h16,23H,1-15H2,(H,21,22)
  • InChiKey: JFPFFLJDNQHWMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 2A Starlite/ChEMBL References
Homo sapiens PHD finger protein 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi jmjC domain containing protein Get druggable targets OG5_129555 All targets in OG5_129555
Brugia malayi jmjC domain containing protein Get druggable targets OG5_129555 All targets in OG5_129555
Candida albicans similar to S. cerevisiae YER051W Get druggable targets OG5_129555 All targets in OG5_129555
Candida albicans similar to S. cerevisiae YER051W Get druggable targets OG5_129555 All targets in OG5_129555
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129555 All targets in OG5_129555
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cpg binding protein 0.0065 0.1432 0.5
Brugia malayi jmjC domain containing protein 0.0074 0.4122 1
Brugia malayi jmjC domain containing protein 0.0074 0.4122 1
Onchocerca volvulus 0.0061 0 0.5
Schistosoma mansoni cpg binding protein 0.0065 0.1432 1
Echinococcus granulosus cpg binding protein 0.0065 0.1432 0.5
Schistosoma mansoni cpg binding protein 0.0065 0.1432 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 uM Inhibition of KDM2A (unknown origin) ChEMBL. 23964788
IC50 (binding) = 17 uM Inhibition of KDM7B (unknown origin) using H3K4me3K9me2 and 2-oxoglutarate as substrate after 1 hr by matrix-assisted laser desorption ionization time of flight mass spectrometry ChEMBL. 23964788
IC50 (binding) = 81 uM Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay ChEMBL. 23964788
IC50 (binding) > 100 uM Inhibition of human recombinant KDM6A after 1 hr ChEMBL. 23964788
IC50 (binding) = 100 uM Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay ChEMBL. 23964788
IC50 (binding) > 120 uM Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay ChEMBL. 23964788

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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