Detailed information for compound 1479383

Basic information

Technical information
  • TDR Targets ID: 1479383
  • Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3H-imi dazole-2-thione
  • MW: 316.805 | Formula: C16H13ClN2OS
  • H donors: 0 H acceptors: 1 LogP: 4.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1cc(nc1S)c1ccc(cc1)Cl
  • InChi: 1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)19-10-15(18-16(19)21)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,21)
  • InChiKey: IKRSEZLYYLQKIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_092613
  • ZINC00392234
  • ZINC00119753

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 leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0089 0.3244 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0018 0.0433 0.2057
Trypanosoma brucei DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Brugia malayi DNA topoisomerase III 0.0018 0.0433 0.2057
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0018 0.0433 0.2057
Plasmodium falciparum DNA topoisomerase 3, putative 0.0018 0.0433 0.0414
Loa Loa (eye worm) endoplasmin 0.0008 0.002 0.0093
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0258 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Chlamydia trachomatis DNA topoisomerase I 0.0018 0.0433 0.0414
Mycobacterium ulcerans DNA gyrase subunit B 0.0258 1 1
Leishmania major DNA topoisomerase 1A 0.0018 0.0433 0.0734
Trypanosoma brucei DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Loa Loa (eye worm) hypothetical protein 0.0008 0.002 0.0093
Treponema pallidum DNA topoisomerase I (topA) 0.0018 0.0433 0.0414
Plasmodium falciparum DNA topoisomerase 2 0.006 0.2104 0.2089
Echinococcus granulosus heat shock protein 0.0008 0.002 0.0093
Echinococcus granulosus DNA topoisomerase 2 alpha 0.006 0.2104 1
Plasmodium vivax DNA topoisomerase II, putative 0.006 0.2104 0.2089
Echinococcus multilocularis rho GTPase activating protein 20 0.0018 0.0433 0.2057
Trypanosoma brucei DNA topoisomerase IA, putative 0.0018 0.0433 0.0734
Onchocerca volvulus DNA topoisomerase 2 homolog 0.006 0.2104 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0018 0.0433 0.1983
Leishmania major mitochondrial DNA topoisomerase II 0.0149 0.5652 1
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0018 0.0433 0.2057
Brugia malayi Probable DNA topoisomerase II 0.006 0.2104 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0018 0.0433 0.1983
Loa Loa (eye worm) DNA topoisomerase III 0.0018 0.0433 0.2057
Echinococcus multilocularis heat shock protein 0.0008 0.002 0.0093
Trypanosoma cruzi DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0008 0.002 0.0093
Trypanosoma cruzi DNA topoisomerase II, putative 0.0042 0.1368 0.2393
Loa Loa (eye worm) heat shock protein 90 0.0008 0.002 0.0093
Brugia malayi heat shock protein 90 0.0008 0.002 0.0093
Trypanosoma brucei DNA topoisomerase ii 0.0149 0.5652 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0042 0.1368 0.2393
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0018 0.0433 0.0734
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0008 0.002 0.0093
Trypanosoma cruzi DNA topoisomerase II, putative 0.0042 0.1368 0.2393
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0018 0.0433 0.1983
Entamoeba histolytica DNA topoisomerase II, putative 0.006 0.2104 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.006 0.2104 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.006 0.2104 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0149 0.5652 1
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0018 0.0433 0.0734
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.006 0.2104 1
Giardia lamblia DNA topoisomerase II 0.0052 0.1781 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0258 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0149 0.5652 1
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0018 0.0433 0.0414
Brugia malayi GRF zinc finger family protein 0.0018 0.0433 0.2057
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0258 1 1
Toxoplasma gondii DNA topoisomerase family protein 0.0018 0.0433 0.0734
Plasmodium vivax DNA topoisomerase 3, putative 0.0018 0.0433 0.0414
Trypanosoma cruzi DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Echinococcus multilocularis heat shock protein 90 0.0008 0.002 0.0093
Loa Loa (eye worm) hypothetical protein 0.0042 0.1368 0.6499
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.006 0.2104 1
Leishmania major DNA topoisomerase ii 0.0042 0.1368 0.2393
Plasmodium vivax DNA gyrase subunit B, putative 0.0258 1 1
Mycobacterium ulcerans DNA topoisomerase I 0.0018 0.0433 0.0414
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0008 0.002 0.0093
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0042 0.1368 0.2393
Plasmodium falciparum DNA gyrase subunit B 0.0258 1 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0018 0.0433 0.1983
Entamoeba histolytica DNA topoisomerase III, putative 0.0018 0.0433 0.1983
Entamoeba histolytica DNA topoisomerase III, putative 0.0018 0.0433 0.1983
Brugia malayi DNA topoisomerase II, alpha isozyme 0.006 0.2104 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0149 0.5652 1
Brugia malayi kinase, mitochondrial precursor 0.0008 0.002 0.0093
Loa Loa (eye worm) TOPoisomerase family member 0.006 0.2104 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.006 0.2104 1
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0018 0.0433 0.1282
Giardia lamblia DNA topoisomerase III 0.0018 0.0433 0.2347
Echinococcus granulosus heat shock protein 90 0.0008 0.002 0.0093
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0018 0.0433 0.2057
Brugia malayi Endoplasmin precursor 0.0008 0.002 0.0093
Loa Loa (eye worm) hypothetical protein 0.0042 0.1368 0.6499
Giardia lamblia DNA topoisomerase III 0.0018 0.0433 0.2347
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0018 0.0433 0.0734
Leishmania major DNA topoisomerase III, putative 0.0018 0.0433 0.0734
Brugia malayi DNA topoisomerase III beta-1 0.0018 0.0433 0.2057
Toxoplasma gondii DNA topoisomerase 2, putative 0.006 0.2104 0.3701
Chlamydia trachomatis DNA gyrase subunit B 0.0169 0.6453 0.6446
Schistosoma mansoni DNA topoisomerase II 0.006 0.2104 1
Leishmania major DNA topoisomerase III, putative 0.0018 0.0433 0.0734

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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