Detailed information for compound 1519386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.979 | Formula: C22H26ClN3OS
  • H donors: 0 H acceptors: 1 LogP: 4.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc2c1n(CC1CCOCC1)cc2c1scc(n1)CN1CCCC1
  • InChi: 1S/C22H26ClN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2
  • InChiKey: SBQOAGOMGALGOT-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
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0262 0.0616 0.2641
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0262 0.0616 0.2731
Toxoplasma gondii DNA topoisomerase 2, putative 0.0855 0.2255 0.3701
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0855 0.2255 1
Trypanosoma brucei DNA topoisomerase ii 0.2116 0.5735 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0262 0.0616 0.2641
Loa Loa (eye worm) DNA topoisomerase III 0.0262 0.0616 0.2731
Giardia lamblia DNA topoisomerase III 0.0262 0.0616 0.2347
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.366 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0115 0.021 0.0867
Entamoeba histolytica DNA topoisomerase III, putative 0.0262 0.0616 0.1983
Plasmodium falciparum DNA topoisomerase 2 0.0855 0.2255 0.2089
Entamoeba histolytica DNA topoisomerase II, putative 0.0855 0.2255 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0855 0.2255 1
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0262 0.0616 0.2678
Plasmodium falciparum DNA topoisomerase 3, putative 0.0262 0.0616 0.0414
Trichomonas vaginalis heat shock protein, putative 0.0115 0.021 0.09
Plasmodium vivax DNA topoisomerase 3, putative 0.0262 0.0616 0.0414
Trichomonas vaginalis receptor histidine kinase, putative 0.0115 0.021 0.09
Mycobacterium ulcerans DNA gyrase subunit B 0.366 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0262 0.0616 0.0734
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.126 0.3373 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Trichomonas vaginalis endoplasmin, putative 0.0115 0.021 0.09
Treponema pallidum DNA topoisomerase I (topA) 0.0262 0.0616 0.0414
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0262 0.0616 0.0734
Brugia malayi GRF zinc finger family protein 0.0262 0.0616 0.2678
Trypanosoma brucei DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Brugia malayi Endoplasmin precursor 0.0115 0.021 0.0867
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0594 0.1533 0.2393
Brugia malayi kinase, mitochondrial precursor 0.0115 0.021 0.0867
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0115 0.021 0.09
Loa Loa (eye worm) TOPoisomerase family member 0.0855 0.2255 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0855 0.2255 1
Schistosoma mansoni endoplasmin 0.0115 0.021 0.0821
Trichomonas vaginalis sensor histidine kinase, putative 0.0115 0.021 0.09
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.2116 0.5735 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0016 0.0072
Echinococcus multilocularis heat shock protein 90 0.0115 0.021 0.0867
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0262 0.0616 0.0414
Trypanosoma cruzi DNA topoisomerase II, putative 0.0594 0.1533 0.2393
Brugia malayi heat shock protein 90 0.0115 0.021 0.0867
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0594 0.1533 0.2393
Loa Loa (eye worm) endoplasmin 0.0115 0.021 0.0933
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0262 0.0616 0.2704
Echinococcus multilocularis heat shock protein 0.0115 0.021 0.0867
Trypanosoma cruzi DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0115 0.021 0.09
Schistosoma mansoni pyruvate dehydrogenase 0.0115 0.021 0.0821
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.366 1 1
Loa Loa (eye worm) hypothetical protein 0.0594 0.1533 0.6796
Schistosoma mansoni endoplasmin 0.0115 0.021 0.0821
Chlamydia trachomatis DNA topoisomerase I 0.0262 0.0616 0.0414
Trichomonas vaginalis heat shock protein, putative 0.0115 0.021 0.09
Giardia lamblia DNA topoisomerase III 0.0262 0.0616 0.2347
Brugia malayi DNA topoisomerase III beta-1 0.0262 0.0616 0.2678
Leishmania major DNA topoisomerase ii 0.0594 0.1533 0.2393
Schistosoma mansoni heat shock protein 0.0115 0.021 0.0821
Trypanosoma brucei DNA topoisomerase IA, putative 0.0262 0.0616 0.0734
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0262 0.0616 0.1282
Loa Loa (eye worm) hypothetical protein 0.0115 0.021 0.0933
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0262 0.0616 0.2704
Plasmodium falciparum DNA gyrase subunit B 0.366 1 1
Echinococcus granulosus heat shock protein 0.0115 0.021 0.0867
Trypanosoma cruzi DNA topoisomerase II, putative 0.0594 0.1533 0.2393
Schistosoma mansoni DNA topoisomerase II 0.0855 0.2255 1
Brugia malayi DNA topoisomerase III 0.0262 0.0616 0.2678
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.366 1 1
Toxoplasma gondii DNA topoisomerase family protein 0.0262 0.0616 0.0734
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.2116 0.5735 1
Plasmodium vivax DNA gyrase subunit B, putative 0.366 1 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Echinococcus multilocularis rho GTPase activating protein 20 0.0262 0.0616 0.2678
Echinococcus granulosus heat shock protein 90 0.0115 0.021 0.0867
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.2116 0.5735 1
Plasmodium vivax DNA topoisomerase II, putative 0.0855 0.2255 0.2089
Giardia lamblia DNA topoisomerase II 0.0741 0.1938 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0855 0.2255 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0855 0.2255 1
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0115 0.021 0.09
Chlamydia trachomatis DNA gyrase subunit B 0.24 0.652 0.6446
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0262 0.0616 0.2678
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0855 0.2255 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0115 0.021 0.09
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0262 0.0616 0.2678
Trichomonas vaginalis receptor histidine kinase, putative 0.0115 0.021 0.09
Loa Loa (eye worm) hypothetical protein 0.0594 0.1533 0.6796
Loa Loa (eye worm) heat shock protein 90 0.0115 0.021 0.0933
Leishmania major DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0262 0.0616 0.0734
Mycobacterium ulcerans DNA topoisomerase I 0.0262 0.0616 0.0414
Entamoeba histolytica DNA topoisomerase III, putative 0.0262 0.0616 0.1983
Leishmania major DNA topoisomerase III, putative 0.0262 0.0616 0.0734
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0115 0.021 0.0867
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0855 0.2255 1
Leishmania major DNA topoisomerase 1A 0.0262 0.0616 0.0734
Schistosoma mansoni heat shock protein 0.0115 0.021 0.0821
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0855 0.2255 1
Leishmania major mitochondrial DNA topoisomerase II 0.2116 0.5735 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0115 0.021 0.09
Brugia malayi Probable DNA topoisomerase II 0.0855 0.2255 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0115 0.021 0.0867

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.
 
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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