Detailed information for compound 26247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.372 | Formula: C20H19N
  • H donors: 0 H acceptors: 0 LogP: 5.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1cccc2c1cccc2)C/C=C/c1ccccc1
  • InChi: 1S/C20H19N/c1-21(16-8-11-17-9-3-2-4-10-17)20-15-7-13-18-12-5-6-14-19(18)20/h2-15H,16H2,1H3/b11-8+
  • InChiKey: VPXZGKVNSXHXRI-DHZHZOJOSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Trypanosoma cruzi glutamine synthetase, putative 0.0897 1 0.5
Onchocerca volvulus 0.0851 0.8567 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0851 0.8567 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0851 0.8567 1
Trypanosoma cruzi glutamine synthetase, putative 0.0897 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0851 0.8567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0851 0.8567 0.5
Plasmodium vivax glutamine synthetase, putative 0.0577 0 0.5
Trypanosoma brucei glutamine synthetase, putative 0.0897 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0851 0.8567 0.5
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Plasmodium falciparum glutamine synthetase, putative 0.0577 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0851 0.8567 1
Toxoplasma gondii glutamine synthetase, type I, putative 0.0577 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0851 0.8567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0851 0.8567 0.5
Brugia malayi steroid hormone receptor 0.0851 0.8567 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0851 0.8567 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0851 0.8567 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0851 0.8567 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0851 0.8567 0.5
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0577 0 0.5
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0577 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0851 0.8567 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0851 0.8567 1
Loa Loa (eye worm) steroid hormone receptor 0.0851 0.8567 1
Brugia malayi nuclear hormone receptor 0.0851 0.8567 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0851 0.8567 1
Leishmania major glutamine synthetase, putative 0.0897 1 0.5
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0897 1 1
Echinococcus multilocularis glutamine synthetase 0.0897 1 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0851 0.8567 0.5
Brugia malayi nuclear receptor NHR-88 0.0851 0.8567 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0851 0.8567 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0851 0.8567 1
Mycobacterium ulcerans glutamine synthetase 0.0577 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0851 0.8567 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0851 0.8567 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0851 0.8567 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0851 0.8567 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0851 0.8567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0851 0.8567 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0851 0.8567 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0851 0.8567 1
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0577 0 0.5
Brugia malayi ecdysteroid receptor 0.0851 0.8567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0851 0.8567 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.2 ug ml-1 Antifungal activity against Trichophyton mentagrophytes. ChEMBL. 3510297
MIC (functional) > 100 ug ml-1 Antifungal activity against Epidermophyton floccosum. ChEMBL. 3510297
MIC (functional) > 100 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 3510297
MIC (functional) > 100 ug ml-1 Antifungal activity measured against Aspergillus fumigatus ChEMBL. 3510297
MIC (functional) > 100 ug ml-1 Antifungal activity measured against Sporothrix schenck ii. ChEMBL. 3510297
MIC (functional) > 100 ug ml-1 Antifungal activity against Candida parapsilosis. ChEMBL. 3510297

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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