Detailed information for compound 1917582

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.731 | Formula: C15H14ClNO
  • H donors: 0 H acceptors: 0 LogP: 4.34 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c[n+](c1c2cccc1)C.[Cl-]
  • InChi: 1S/C15H14NO.ClH/c1-16-10-11-9-12(17-2)7-8-13(11)14-5-3-4-6-15(14)16;/h3-10H,1-2H3;1H/q+1;/p-1
  • InChiKey: YDJDPGMJTUULDF-UHFFFAOYSA-M  


Substructure search Similarity search

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
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0182 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.2437 0.2437
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.2437 0.2437
Echinococcus multilocularis ferritin 0.0009 0.0182 0.0182
Entamoeba histolytica hypothetical protein 0.004 1 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.2437 0.2437
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.2437 0.2437
Schistosoma mansoni ferritin 0.0009 0.0182 0.0182
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.2437 0.2437
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.2437 0.2437
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.2437 0.2437
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.2437 0.2437
Entamoeba histolytica hypothetical protein 0.004 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.2437 0.2437
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.2437 0.2437
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.2437 0.2437
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.2437 0.2437
Brugia malayi ecdysteroid receptor 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.2437 0.2437
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0182 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.2437 0.2437
Schistosoma mansoni ferritin light chain 0.0009 0.0182 0.0182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.2437 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0016 0.2437 0.5
Schistosoma mansoni ferritin 0.0009 0.0182 0.0182
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.2437 0.2437
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0182 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0182 0.5
Schistosoma mansoni ferritin 0.0009 0.0182 0.0182
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.2437 0.2437
Echinococcus granulosus expressed protein 0.0009 0.0182 0.0182
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.2437 0.2437
Echinococcus granulosus FTZ F1 alpha 0.0016 0.2437 0.2437
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.2437 0.2437
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.2437 1
Onchocerca volvulus 0.0016 0.2437 0.5
Schistosoma mansoni thyroid hormone receptor 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.2437 0.2437
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.2437 0.2437
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.2437 0.2437
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.2437 0.2437
Schistosoma mansoni apoferritin-2 0.0009 0.0182 0.0182
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.2437 0.2437
Brugia malayi steroid hormone receptor 0.0016 0.2437 0.2437
Schistosoma mansoni thyroid hormone receptor 0.0016 0.2437 0.2437
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0182 0.5
Entamoeba histolytica hypothetical protein 0.004 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Trichomonas vaginalis ferritin, putative 0.0009 0.0182 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.2437 1
Schistosoma mansoni hypothetical protein 0.004 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.2437 1
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.2437 1
Echinococcus multilocularis expressed protein 0.0009 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.2437 0.2437
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.2437 0.2437
Schistosoma mansoni nuclear hormone receptor 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.2437 0.2437
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.2437 0.2437
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.2437 0.2437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.2437 1
Schistosoma mansoni apoferritin-2 0.0009 0.0182 0.0182
Schistosoma mansoni coup transcription factor 0.0016 0.2437 0.2437
Schistosoma mansoni ferritin 0.0009 0.0182 0.0182
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.2437 0.2437
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.2437 0.2437
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0182 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.2437 0.2437
Brugia malayi nuclear hormone receptor 0.0016 0.2437 0.2437
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.2437 0.2437
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Schistosoma mansoni transcription factor LCR-F1 0.004 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.2437 0.2437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.2437 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0016 0.2437 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.2437 0.2437
Entamoeba histolytica hypothetical protein 0.004 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.2437 0.2437
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0182 0.5
Echinococcus granulosus ferritin 0.0009 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.2437 0.2437
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.2437 0.2437
Brugia malayi nuclear receptor NHR-88 0.0016 0.2437 0.2437
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Onchocerca volvulus Bile acid receptor homolog 0.0016 0.2437 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.2437 0.2437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.2437 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.2437 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.2437 0.2437
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.2437 0.2437
Schistosoma mansoni ferritin light chain 0.0009 0.0182 0.0182

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.95 mM Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method ChEMBL. 24794108

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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