Detailed information for compound 1873077

Basic information

Technical information
  • TDR Targets ID: 1873077
  • Name: 1-hexyl-3-methylimidazol-3-ium iodide
  • MW: 294.176 | Formula: C10H19IN2
  • H donors: 0 H acceptors: 0 LogP: 3.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1cc[n+](c1)C.[I-]
  • InChi: 1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
  • InChiKey: CZIUVCSYOGFUPH-UHFFFAOYSA-M  

Network

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Synonyms

  • 1-hexyl-3-methyl-imidazol-3-ium iodide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2682 0.5051 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.2682 0.5051 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.2682 0.5051 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0881 0.0744 0.1473
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0881 0.0744 0.0744
Schistosoma mansoni choline o-acyltransferase 0.057 0 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0881 0.0744 0.1473
Leishmania major carnitine palmitoyltransferase-like protein 0.0881 0.0744 0.1473
Onchocerca volvulus 0.057 0 0.5
Onchocerca volvulus 0.057 0 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0881 0.0744 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2682 0.5051 1
Onchocerca volvulus 0.057 0 0.5
Onchocerca volvulus 0.057 0 0.5
Schistosoma mansoni choline o-acyltransferase 0.057 0 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0881 0.0744 0.0744
Loa Loa (eye worm) hypothetical protein 0.475 1 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0881 0.0744 0.1473
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.2682 0.5051 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0057 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.4581 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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