Detailed information for compound 821467

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.569 | Formula: C27H33N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCOC(C1)(C)C)N1CCC(CC1)n1c(COc2ccccc2)nc2c1cccc2
  • InChi: 1S/C27H33N3O3/c1-27(2)18-20(14-17-33-27)26(31)29-15-12-21(13-16-29)30-24-11-7-6-10-23(24)28-25(30)19-32-22-8-4-3-5-9-22/h3-11,20-21H,12-19H2,1-2H3
  • InChiKey: GWYRRAFGOGUFHW-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
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0276 0.2054 0.7831
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0098 0.0486 0.1565
Trypanosoma brucei DNA topoisomerase IA, putative 0.0098 0.0486 0.0878
Loa Loa (eye worm) DNA topoisomerase III 0.0098 0.0486 0.1565
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0098 0.0486 0.1565
Plasmodium falciparum DNA topoisomerase 2 0.0396 0.3106 0.3106
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0715 0.5919 0.5919
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0012 0.0038
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0012 0.0038
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0098 0.0486 0.1565
Toxoplasma gondii DNA topoisomerase 2, putative 0.0396 0.3106 0.5247
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0098 0.0486 0.1854
Schistosoma mansoni DNA topoisomerase II 0.0396 0.3106 1
Leishmania major DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Trypanosoma cruzi DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Loa Loa (eye worm) TOPoisomerase family member 0.0396 0.3106 1
Plasmodium falciparum DNA gyrase subunit A 0.0715 0.5919 0.5919
Trypanosoma cruzi DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0715 0.5919 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0297 0.224 0.4043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0012 0.0038
Chlamydia trachomatis DNA topoisomerase I 0.0098 0.0486 0.0486
Leishmania major DNA topoisomerase 1A 0.0098 0.0486 0.0878
Brugia malayi DNA topoisomerase III beta-1 0.0098 0.0486 0.1565
Plasmodium falciparum DNA gyrase subunit B 0.1178 1 1
Chlamydia trachomatis DNA gyrase subunit A 0.0074 0.0274 0.0274
Mycobacterium ulcerans DNA gyrase subunit B 0.1178 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0297 0.224 0.4043
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0098 0.0486 0.1565
Brugia malayi Probable DNA topoisomerase II 0.0396 0.3106 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0098 0.0486 0.1565
Entamoeba histolytica DNA topoisomerase II, putative 0.0396 0.3106 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0396 0.3106 1
Leishmania major DNA topoisomerase ii 0.0297 0.224 0.4043
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0882
Plasmodium falciparum DNA topoisomerase 3, putative 0.0098 0.0486 0.0486
Mycobacterium ulcerans DNA topoisomerase I 0.0098 0.0486 0.0486
Trypanosoma cruzi DNA topoisomerase II, putative 0.0297 0.224 0.4043
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0098 0.0486 0.0486
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0672 0.554 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.1585 0.5105
Trypanosoma cruzi DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0715 0.5919 0.5919
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0396 0.3106 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0098 0.0486 0.1565
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0396 0.3106 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0715 0.5919 0.5919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0012 0.0038
Leishmania major mitochondrial DNA topoisomerase II 0.0672 0.554 1
Plasmodium vivax DNA topoisomerase 3, putative 0.0098 0.0486 0.0486
Trypanosoma cruzi DNA topoisomerase II, putative 0.0297 0.224 0.4043
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0598 0.4886 0.8254
Trypanosoma brucei DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0012 0.0038
Entamoeba histolytica DNA topoisomerase III, putative 0.0098 0.0486 0.1565
Trypanosoma brucei DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0098 0.0486 0.0821
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0396 0.3106 1
Echinococcus multilocularis rho GTPase activating protein 20 0.0098 0.0486 0.1565
Toxoplasma gondii DNA topoisomerase family protein 0.0098 0.0486 0.0821
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0098 0.0486 0.1565
Chlamydia trachomatis DNA gyrase subunit B 0.0902 0.7566 0.7566
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0396 0.3106 1
Trypanosoma brucei DNA topoisomerase ii 0.0672 0.554 1
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0098 0.0486 0.1565
Giardia lamblia DNA topoisomerase III 0.0098 0.0486 0.1784
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0012 0.0038
Chlamydia trachomatis DNA gyrase subunit A 0.0715 0.5919 0.5919
Mycobacterium ulcerans DNA gyrase subunit A 0.0715 0.5919 0.5919
Giardia lamblia DNA topoisomerase III 0.0098 0.0486 0.1784
Trichomonas vaginalis DNA topoisomerase II, putative 0.0396 0.3106 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0672 0.554 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1178 1 1
Leishmania major DNA topoisomerase III, putative 0.0098 0.0486 0.0878
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1178 1 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0098 0.0486 0.1565
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0715 0.5919 0.5919
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0098 0.0486 0.0878
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0882
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0396 0.3106 1
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0098 0.0486 0.0878
Brugia malayi GRF zinc finger family protein 0.0098 0.0486 0.1565
Treponema pallidum DNA topoisomerase I (topA) 0.0098 0.0486 0.0486
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1591 0.1591
Plasmodium vivax DNA topoisomerase II, putative 0.0396 0.3106 0.3106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0012 0.0038
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0396 0.3106 1
Plasmodium vivax DNA gyrase subunit B, putative 0.1178 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0012 0.0038
Giardia lamblia DNA topoisomerase II 0.0353 0.2726 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.1585 0.5105
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1178 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0012 0.0038
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0341 0.2623 1
Brugia malayi DNA topoisomerase III 0.0098 0.0486 0.1565

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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