Detailed information for compound 827734

Basic information

Technical information
  • TDR Targets ID: 827734
  • Name: 3-(4-bromophenyl)sulfonyl-8-methoxychromen-2- one
  • MW: 395.225 | Formula: C16H11BrO5S
  • H donors: 0 H acceptors: 3 LogP: 3.58 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1oc(=O)c(c2)S(=O)(=O)c1ccc(cc1)Br
  • InChi: 1S/C16H11BrO5S/c1-21-13-4-2-3-10-9-14(16(18)22-15(10)13)23(19,20)12-7-5-11(17)6-8-12/h2-9H,1H3
  • InChiKey: RZBJAOGZMRZUAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-bromophenyl)sulfonyl-8-methoxy-chromen-2-one
  • 3-(4-bromophenyl)sulfonyl-8-methoxy-2-chromenone
  • 3-(4-bromophenyl)sulfonyl-8-methoxy-coumarin
  • ZINC02686640

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 brucei Heat shock protein 83, putative 0.1084 0.2175 0.1659
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Entamoeba histolytica heat shock protein 90, putative 0.1084 0.2175 0.5
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Schistosoma mansoni pyruvate dehydrogenase 0.2171 0.8209 0.7711
Leishmania major developmentally regulated phosphoprotein-like protein 0.2494 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.1084 0.2175 1
Trichomonas vaginalis heat shock protein, putative 0.0762 0.0384 0.1272
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Trypanosoma brucei developmentally regulated phosphoprotein 0.2494 1 1
Plasmodium vivax endoplasmin, putative 0.1084 0.2175 0.5
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0762 0.0384 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.1084 0.2175 0.2175
Schistosoma mansoni pyruvate dehydrogenase 0.2494 1 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0804 0.0619 0.0619
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Entamoeba histolytica heat shock protein 90, putative 0.1084 0.2175 0.5
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trypanosoma cruzi heat shock protein 90, putative 0.0762 0.0384 0.0384
Treponema pallidum heat shock protein 90 0.0762 0.0384 0.5
Trypanosoma brucei heat shock protein 90, putative 0.1084 0.2175 0.1659
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Trypanosoma cruzi Heat shock protein 83, putative 0.1084 0.2175 0.2175
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0804 0.0619 0.0244
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1127 0.2409 1
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.2494 1 1
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Schistosoma mansoni pyruvate dehydrogenase 0.2171 0.8209 0.7711
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2494 1 1
Echinococcus multilocularis heat shock protein 0.1084 0.2175 0.1862
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0762 0.0384 0.5
Toxoplasma gondii heat shock protein HSP90 0.1084 0.2175 0.8691
Trypanosoma cruzi heat shock protein 85, putative 0.0762 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.2494 1 1
Toxoplasma gondii heat shock protein 90, putative 0.1084 0.2175 0.8691
Trichomonas vaginalis heat shock protein, putative 0.0762 0.0384 0.1272
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trypanosoma brucei heat shock protein 90, putative 0.1084 0.2175 0.1659
Trichomonas vaginalis heat shock protein, putative 0.0762 0.0384 0.1272
Trypanosoma cruzi heat shock protein 85, putative 0.1084 0.2175 0.2175
Plasmodium vivax heat shock protein 86, putative 0.1084 0.2175 0.5
Echinococcus granulosus heat shock protein 0.1084 0.2175 0.1862
Trypanosoma cruzi heat shock protein 90, putative 0.1084 0.2175 0.2175
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0762 0.0384 0.5
Plasmodium falciparum heat shock protein 90 0.1084 0.2175 1
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Echinococcus multilocularis heat shock protein 90 0.1084 0.2175 0.1862
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Trichomonas vaginalis heat shock protein, putative 0.1084 0.2175 1
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Echinococcus granulosus heat shock protein 90 0.1084 0.2175 0.1862
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2494 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1084 0.2175 0.2175
Mycobacterium ulcerans heat shock protein 90 0.0762 0.0384 0.5
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659
Leishmania major heat shock protein 83-1 0.1084 0.2175 0.1862
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.2494 1 1
Trypanosoma brucei heat shock protein, putative 0.1084 0.2175 0.1659

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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