Detailed information for compound 611427

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.528 | Formula: C26H22N2O5S
  • H donors: 0 H acceptors: 3 LogP: 4.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(=NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c1ccc(c2)C(=O)OC
  • InChi: 1S/C26H22N2O5S/c1-32-15-14-28-21-13-12-20(25(31)33-2)16-22(21)34-26(28)27-24(30)19-10-8-18(9-11-19)23(29)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3/b27-26-
  • InChiKey: JLFKLSGNGMMFHL-RQZHXJHFSA-N  


Substructure search Similarity search

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
Trypanosoma cruzi heat shock protein 90, putative 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Brugia malayi Endoplasmin precursor 0.0295 0.3925 0.3762
Trypanosoma cruzi heat shock protein 85, putative 0.0295 0.3925 1
Schistosoma mansoni endoplasmin 0.0295 0.3925 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0295 0.3925 1
Toxoplasma gondii heat shock protein HSP90 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trichomonas vaginalis heat shock protein, putative 0.0181 0.1905 0.345
Plasmodium vivax heat shock protein 86, putative 0.0295 0.3925 1
Trypanosoma cruzi heat shock protein 90, putative 0.0235 0.2861 0.655
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Echinococcus multilocularis endoplasmin 0.0235 0.2861 0.7289
Trichomonas vaginalis endoplasmin, putative 0.0181 0.1905 0.345
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trichomonas vaginalis heat shock protein, putative 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trichomonas vaginalis heat shock protein, putative 0.0235 0.2861 0.655
Brugia malayi heat shock protein 90 0.0295 0.3925 0.3762
Loa Loa (eye worm) heat shock protein 75 0.0121 0.0841 0.0595
Echinococcus multilocularis heat shock protein 0.0295 0.3925 1
Entamoeba histolytica heat shock protein 90, putative 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Schistosoma mansoni heat shock protein 0.0295 0.3925 1
Trypanosoma brucei heat shock protein 90, putative 0.0295 0.3925 1
Treponema pallidum heat shock protein 90 0.0235 0.2861 0.5
Echinococcus granulosus endoplasmin 0.0235 0.2861 0.7289
Echinococcus multilocularis heat shock protein 90 0.0235 0.2861 0.7289
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0235 0.2861 0.7289
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0235 0.2861 0.5
Loa Loa (eye worm) hypothetical protein 0.0637 1 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0235 0.2861 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.025 0.314 0.7454
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Trichomonas vaginalis heat shock protein, putative 0.0235 0.2861 0.655
Echinococcus granulosus heat shock protein 0.0295 0.3925 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.025 0.314 0.7454
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0121 0.0841 0.2143
Trypanosoma cruzi heat shock protein 90, putative 0.0174 0.1784 0.3058
Entamoeba histolytica heat shock protein 90, putative 0.0295 0.3925 1
Echinococcus granulosus heat shock protein 90 0.0235 0.2861 0.7289
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Echinococcus granulosus heat shock protein 90 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Echinococcus multilocularis heat shock protein 90 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trypanosoma brucei Heat shock protein 83, putative 0.0295 0.3925 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0295 0.3925 1
Trichomonas vaginalis heat shock protein, putative 0.0235 0.2861 0.655
Brugia malayi Hsp90 protein 0.0121 0.0841 0.0595
Plasmodium falciparum heat shock protein 90 0.0295 0.3925 1
Trypanosoma cruzi heat shock protein 85, putative 0.0235 0.2861 0.655
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0235 0.2861 0.655
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0637 1 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Mycobacterium ulcerans heat shock protein 90 0.0235 0.2861 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0295 0.3925 1
Plasmodium falciparum endoplasmin, putative 0.0181 0.1905 0.345
Schistosoma mansoni endoplasmin 0.0295 0.3925 1
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Trypanosoma cruzi heat shock protein 85, putative 0.0295 0.3925 1
Trypanosoma brucei heat shock protein, putative 0.0295 0.3925 1
Schistosoma mansoni heat shock protein 0.0295 0.3925 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.025 0.314 0.7454
Loa Loa (eye worm) endoplasmin 0.0295 0.3925 0.3762
Leishmania major heat shock protein 83-1 0.0295 0.3925 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0121 0.0841 0.5
Plasmodium vivax endoplasmin, putative 0.0295 0.3925 1
Leishmania major malonyl-coa decarboxylase-like protein 0.025 0.314 0.7454
Trypanosoma cruzi heat shock protein 85, putative 0.0295 0.3925 1
Toxoplasma gondii heat shock protein 90, putative 0.0295 0.3925 1
Loa Loa (eye worm) heat shock protein 90 0.0295 0.3925 0.3762
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0121 0.0841 0.2143

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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