Detailed information for compound 827726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.433 | Formula: C20H17N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)NC(=O)CSc1cc(=O)n(c2c1cccc2)CC
  • InChi: 1S/C20H17N3O2S/c1-2-23-17-9-4-3-8-16(17)18(11-20(23)25)26-13-19(24)22-15-7-5-6-14(10-15)12-21/h3-11H,2,13H2,1H3,(H,22,24)
  • InChiKey: UJFATGHRBQKLDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Plasmodium falciparum heat shock protein 90 0.0848 0.3818 1
Echinococcus multilocularis heat shock protein 0.0848 0.3818 0.2692
Trichomonas vaginalis heat shock protein, putative 0.0617 0.1541 0.2285
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.1476 1 1
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Trichomonas vaginalis heat shock protein, putative 0.0848 0.3818 1
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Giardia lamblia Heat shock protein HSP 90-alpha 0.0848 0.3818 1
Trypanosoma brucei Heat shock protein 83, putative 0.0848 0.3818 0.3818
Trypanosoma brucei developmentally regulated phosphoprotein 0.1476 1 1
Plasmodium vivax heat shock protein 86, putative 0.0848 0.3818 0.5
Echinococcus granulosus heat shock protein 90 0.0848 0.3818 0.2692
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Trypanosoma cruzi heat shock protein 90, putative 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trypanosoma cruzi heat shock protein 90, putative 0.0531 0.069 0.069
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0617 0.1541 0.1541
Trypanosoma brucei heat shock protein 90, putative 0.0848 0.3818 0.3818
Trypanosoma cruzi heat shock protein 85, putative 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trypanosoma cruzi heat shock protein 90, putative 0.0617 0.1541 0.1541
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trypanosoma cruzi heat shock protein 85, putative 0.0848 0.3818 0.3818
Schistosoma mansoni pyruvate dehydrogenase 0.1245 0.7723 0.6316
Leishmania major developmentally regulated phosphoprotein-like protein 0.1476 1 1
Echinococcus multilocularis heat shock protein 90 0.0848 0.3818 0.2692
Mycobacterium ulcerans heat shock protein 90 0.0617 0.1541 0.5
Toxoplasma gondii heat shock protein HSP90 0.0848 0.3818 1
Trypanosoma cruzi heat shock protein 85, putative 0.0617 0.1541 0.1541
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.1476 1 1
Toxoplasma gondii heat shock protein 90, putative 0.0848 0.3818 1
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Entamoeba histolytica heat shock protein 90, putative 0.0848 0.3818 0.5
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trichomonas vaginalis heat shock protein, putative 0.0617 0.1541 0.2285
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0617 0.1541 0.5
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Trypanosoma cruzi Heat shock protein 83, putative 0.0848 0.3818 0.3818
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0617 0.1541 0.5
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Loa Loa (eye worm) hypothetical protein 0.1476 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0848 0.3818 0.3818
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.1476 1 1
Plasmodium vivax endoplasmin, putative 0.0848 0.3818 0.5
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Treponema pallidum heat shock protein 90 0.0617 0.1541 0.5
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Schistosoma mansoni pyruvate dehydrogenase 0.1476 1 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0617 0.1541 0.5
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0692 0.2277 0.5964
Schistosoma mansoni pyruvate dehydrogenase 0.1245 0.7723 0.6316
Leishmania major heat shock protein 83-1 0.0848 0.3818 0.3818
Echinococcus granulosus heat shock protein 0.0848 0.3818 0.2692
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.1476 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0848 0.3818 0.5
Trichomonas vaginalis heat shock protein, putative 0.0617 0.1541 0.2285
Trypanosoma brucei heat shock protein 90, putative 0.0848 0.3818 0.3818
Trypanosoma brucei heat shock protein, putative 0.0848 0.3818 0.3818

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.