Detailed information for compound 1464483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.637 | Formula: C16H12ClIN2
  • H donors: 1 H acceptors: 0 LogP: 5.36 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1c([nH]2)cc2c([n+]1C)cccc2.[I-]
  • InChi: 1S/C16H11ClN2.HI/c1-19-15-5-3-2-4-10(15)8-14-16(19)12-9-11(17)6-7-13(12)18-14;/h2-9H,1H3;1H
  • InChiKey: ZDKAWLUYIMHOFM-UHFFFAOYSA-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
Brugia malayi Probable ATP-dependent helicase DHX35 0.0032 0.1305 0.1305
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0035 0.1936 0.1936
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1936 0.1936
Echinococcus multilocularis ectonucleotide 0.0029 0.0841 0.4346
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Giardia lamblia Rrm3p helicase 0.0027 0.0396 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0027 0.0396 1
Plasmodium vivax tubulin beta chain, putative 0.0025 0 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Toxoplasma gondii beta-1 tubulin, putative 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0841 0.0841
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0029 0.0841 0.4346
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0396 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0035 0.1936 0.1936
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0035 0.1936 0.1936
Toxoplasma gondii beta tubulin 0.0025 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0396 1
Toxoplasma gondii beta-tubulin, putative 0.0025 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1936 0.1936
Plasmodium falciparum tubulin beta chain 0.0025 0 0.5
Loa Loa (eye worm) DEAH box polypeptide 35 0.0032 0.1305 0.1305
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0027 0.0396 0.2046
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0075 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0035 0.1936 0.1936
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0027 0.0396 0.2046
Entamoeba histolytica DNA repair and recombination protein, putative 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0029 0.0841 0.4346
Onchocerca volvulus 0.0075 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0027 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1305 0.1305
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0027 0.0396 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0035 0.1936 0.1936
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Schistosoma mansoni hypothetical protein 0.0075 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1936 0.1936
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1
Echinococcus granulosus ectonucleotide 0.0029 0.0841 0.4346
Schistosoma mansoni hypothetical protein 0.0027 0.0396 0.0396
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0035 0.1936 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.5 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 assessed as inhibition of fungal growth by alamar blue assay ChEMBL. 21130660
IC50 (functional) = 15 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90113 assessed as inhibition of fungal growth by alamar blue assay ChEMBL. 21130660
MIC (functional) > 20 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 by microscopy ChEMBL. 21130660
MIC (functional) > 20 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90113 by microscopy ChEMBL. 21130660

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Candida albicans ChEMBL23 21130660

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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