Detailed information for compound 827731

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.476 | Formula: C24H19NO6S
  • H donors: 1 H acceptors: 4 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)c1ccc2c(c1)cc(c(=O)o2)S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C24H19NO6S/c1-15-6-9-20(10-7-15)32(28,29)22-13-17-12-16(8-11-21(17)31-24(22)27)23(26)25-18-4-3-5-19(14-18)30-2/h3-14H,1-2H3,(H,25,26)
  • InChiKey: GVXBQXMPBRBTFV-UHFFFAOYSA-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 developmentally regulated phosphoprotein, putative 0.1545 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0761 0.2689 0.5
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Echinococcus granulosus heat shock protein 0.103 0.5202 0.3438
Schistosoma mansoni pyruvate dehydrogenase 0.1275 0.7487 0.4761
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Trypanosoma brucei heat shock protein 90, putative 0.103 0.5202 0.5202
Entamoeba histolytica heat shock protein 90, putative 0.103 0.5202 0.5
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0761 0.2689 0.2689
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.1545 1 1
Plasmodium vivax endoplasmin, putative 0.103 0.5202 0.5
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma cruzi heat shock protein 90, putative 0.0761 0.2689 0.2689
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0761 0.2689 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.1545 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.103 0.5202 0.5202
Mycobacterium ulcerans heat shock protein 90 0.0761 0.2689 0.5
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Entamoeba histolytica heat shock protein 90, putative 0.103 0.5202 0.5
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trichomonas vaginalis heat shock protein, putative 0.0761 0.2689 0.2697
Loa Loa (eye worm) hypothetical protein 0.1545 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0761 0.2689 0.5
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Toxoplasma gondii heat shock protein HSP90 0.103 0.5202 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.1545 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.1275 0.7487 0.4761
Trichomonas vaginalis heat shock protein, putative 0.0761 0.2689 0.2697
Echinococcus multilocularis heat shock protein 90 0.103 0.5202 0.3438
Trichomonas vaginalis heat shock protein, putative 0.0761 0.2689 0.2697
Toxoplasma gondii heat shock protein 90, putative 0.103 0.5202 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.1545 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Treponema pallidum heat shock protein 90 0.0761 0.2689 0.5
Trypanosoma brucei heat shock protein 90, putative 0.103 0.5202 0.5202
Trypanosoma cruzi heat shock protein 85, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0742 0.2513 0.4831
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Echinococcus granulosus heat shock protein 90 0.103 0.5202 0.3438
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Trypanosoma cruzi heat shock protein 90, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma cruzi heat shock protein 90, putative 0.0639 0.1554 0.1554
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trichomonas vaginalis heat shock protein, putative 0.103 0.5202 1
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma brucei Heat shock protein 83, putative 0.103 0.5202 0.5202
Plasmodium vivax heat shock protein 86, putative 0.103 0.5202 0.5
Trypanosoma brucei developmentally regulated phosphoprotein 0.1545 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.103 0.5202 1
Leishmania major heat shock protein 83-1 0.103 0.5202 0.5202
Trypanosoma cruzi heat shock protein 85, putative 0.0761 0.2689 0.2689
Echinococcus multilocularis heat shock protein 0.103 0.5202 0.3438
Plasmodium falciparum heat shock protein 90 0.103 0.5202 1
Trypanosoma brucei heat shock protein, putative 0.103 0.5202 0.5202
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.1545 1 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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