Detailed information for compound 906546

Basic information

Technical information
  • TDR Targets ID: 906546
  • Name: 6-bromo-4-(4-methylsulfanylphenyl)-3,4-dihydr o-1H-benzo[h]quinolin-2-one
  • MW: 398.316 | Formula: C20H16BrNOS
  • H donors: 1 H acceptors: 1 LogP: 4.97 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)C1CC(=O)Nc2c1cc(Br)c1c2cccc1
  • InChi: 1S/C20H16BrNOS/c1-24-13-8-6-12(7-9-13)16-11-19(23)22-20-15-5-3-2-4-14(15)18(21)10-17(16)20/h2-10,16H,11H2,1H3,(H,22,23)
  • InChiKey: ISOZOCYRLMHBJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-bromo-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
  • 6-Bromo-4-(4-methylsulfanyl-phenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
  • BAS 01404525
  • Oprea1_232338
  • CBMicro_042806
  • BIM-0042657.P001
  • STK052499
  • ChemDiv1_028635
  • Oprea1_049511

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 ataxin-2 like protein, putative 0.0029 0.2201 0.195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.5459 0.5459
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0311 0.028
Brugia malayi TAR-binding protein 0.0061 0.762 0.762
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.2932 0.2932
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.1271 0.0991
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.5684 0.5684
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1271 0.5
Echinococcus granulosus tar DNA binding protein 0.0061 0.762 0.762
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.5459 0.5459
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.2201 0.2201
Loa Loa (eye worm) RNA binding protein 0.0061 0.762 0.762
Leishmania major hypothetical protein, conserved 0.0029 0.2201 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.1789 0.0593
Loa Loa (eye worm) hypothetical protein 0.0017 0.0311 0.0311
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.762 0.762
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1271 0.0991
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.5684 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.5684 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1271 0.1271
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1271 0.1271
Loa Loa (eye worm) hypothetical protein 0.0017 0.0311 0.0311
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.2201 0.0501
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1271 0.0991
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.762 0.762
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.2201 0.195
Loa Loa (eye worm) TAR-binding protein 0.0061 0.762 0.762
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.2201 0.195
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.2201 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.2201 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.1271 0.1271
Schistosoma mansoni tar DNA-binding protein 0.0061 0.762 0.762
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.762 0.762
Schistosoma mansoni tar DNA-binding protein 0.0061 0.762 0.762
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Brugia malayi hypothetical protein 0.0029 0.2201 0.2201
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.1271 0.2017
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0023 0.1271 0.1271
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1271 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.1271 0.0991
Loa Loa (eye worm) hypothetical protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.762 0.762
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1271 0.0991
Schistosoma mansoni tar DNA-binding protein 0.0061 0.762 0.762
Brugia malayi RNA binding protein 0.0061 0.762 0.762
Brugia malayi hypothetical protein 0.0018 0.0525 0.0525
Echinococcus granulosus peptidase Clp S14 family 0.005 0.5684 0.5684
Loa Loa (eye worm) hypothetical protein 0.0017 0.0311 0.0311
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.1789 0.1526
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.1271 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0311 0.0311
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1271 0.1271
Onchocerca volvulus 0.0023 0.1271 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.1271 0.0991
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 1 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.1271 0.0991
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.1271 0.0991
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0017 0.0311 0.0311
Schistosoma mansoni tar DNA-binding protein 0.0061 0.762 0.762
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.1271 0.2017
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.1789 0.1526
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.5459 0.5459
Loa Loa (eye worm) hypothetical protein 0.0048 0.5459 0.5459
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.5684 0.5056
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1271 0.1271
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.2201 0.5

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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