Detailed information for compound 1866569

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.575 | Formula: C26H27N3O4S
  • H donors: 3 H acceptors: 3 LogP: 4.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCO[C@@H]1OC(=C[C@@H](C1)c1csc2c1cccc2)C(=O)NCc1nc2c([nH]1)cccc2
  • InChi: 1S/C26H27N3O4S/c30-11-5-6-12-32-25-14-17(19-16-34-23-10-4-1-7-18(19)23)13-22(33-25)26(31)27-15-24-28-20-8-2-3-9-21(20)29-24/h1-4,7-10,13,16-17,25,30H,5-6,11-12,14-15H2,(H,27,31)(H,28,29)/t17-,25+/m0/s1
  • InChiKey: SLRBOMATNPSAKZ-SSOJOUAXSA-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 leucyl-tRNA synthetase 0.0025 0.0457 0.0603
Treponema pallidum methionyl-tRNA synthetase 0.0025 0.0457 1
Leishmania major leucyl-tRNA synthetase, putative 0.0025 0.0457 0.0603
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0457 0.0603
Giardia lamblia Leucyl-tRNA synthetase 0.0025 0.0457 0.0603
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0.0457 0.5
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0066 0.3754 1
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.3754 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0457 0.0603
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0866 0.1769
Brugia malayi methionyl-tRNA synthetase 0.0066 0.3754 0.3754
Brugia malayi hypothetical protein 0.003 0.0866 0.0866
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.3754 1
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.3754 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Brugia malayi protein ZK524.3 0.0025 0.0457 0.0457
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0866 0.1769
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.3754 0.3597
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0457 0.0603
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0457 0.0603
Loa Loa (eye worm) hypothetical protein 0.0025 0.0457 0.0217
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0866 0.1769
Loa Loa (eye worm) hypothetical protein 0.003 0.0866 0.0636
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0246 0.0246
Echinococcus multilocularis leucyl tRNA synthetase 0.0025 0.0457 0.0603
Leishmania major hypothetical protein, conserved 0.003 0.0866 0.1769
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0066 0.3754 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0866 0.1769
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.3754 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0457 0.0217
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.3754 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.3754 1
Toxoplasma gondii tRNA ligases class I (M) protein 0.0025 0.0457 0.0603
Brugia malayi methionyl-tRNA synthetase 0.0025 0.0457 0.0457
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.3754 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0866 0.1769
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.3754 1
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.3754 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0066 0.3754 1
Onchocerca volvulus 0.0041 0.1719 0.5
Treponema pallidum leucyl-tRNA synthetase 0.0025 0.0457 1
Plasmodium falciparum methionine--tRNA ligase, putative 0.0025 0.0457 0.0603
Loa Loa (eye worm) hypothetical protein 0.0025 0.0457 0.0217
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0025 0.0457 0.0603
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0866 0.1769
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0.0457 1
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0.0457 0.5
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.3754 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0866 0.1769
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.1719 0.151
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0025 0.0457 0.0603
Plasmodium vivax methionine--tRNA ligase, putative 0.0025 0.0457 0.0603
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.3754 1
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.3754 1

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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