Detailed information for compound 979588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.292 | Formula: C16H11BrOS2
  • H donors: 1 H acceptors: 1 LogP: 5.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)/C=C/c1ccc(s1)c1ccc(s1)Br
  • InChi: 1S/C16H11BrOS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10,18H/b6-3+
  • InChiKey: FKOCTCKIJBDXFV-ZZXKWVIFSA-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
Loa Loa (eye worm) hypothetical protein 0.0035 0.1731 0.1731
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.5904 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0029 0.0049
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0029 0.0029
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.3356 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.1056 0.1749
Toxoplasma gondii hypothetical protein 0.0028 0.1056 0.1749
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.5904 0.5904
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 0.5
Brugia malayi TAR-binding protein 0.0065 0.4499 0.4499
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4499 0.762
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.4499 0.4499
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.5904 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.4499 0.762
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.3356 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0029 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.3223 0.3223
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.5904 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0029 0.0049
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.3223 0.3223
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4499 0.762
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.3223 0.3223
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.5904 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.5904 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4499 0.762
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0029 0.0049
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.1056 0.1749
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.4499 0.4499
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.3356 0.5684
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.4499 0.4499
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0029 0.0049
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0029 0.0049
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 0.5
Brugia malayi Probable ClpP-like protease 0.008 0.5904 0.5904
Brugia malayi isocitrate dehydrogenase 0.0017 0.0029 0.0029
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0029 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0029 0.0049
Brugia malayi RNA binding protein 0.0065 0.4499 0.4499
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0029 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.5904 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 1 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.4499 0.4499
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.3223 0.3223
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4499 0.762
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0029 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0029 0.0049
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.3356 0.5684
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.3356 0.4744
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0029 0.0029
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1731 0.1731
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.5904 0.5
Echinococcus multilocularis tar DNA binding protein 0.0065 0.4499 0.762
Schistosoma mansoni hypothetical protein 0.0035 0.1731 0.2932
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.5904 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4499 0.762

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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