Detailed information for compound 1840429

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 295.195 | Formula: C13H11BrOS
  • H donors: 0 H acceptors: 1 LogP: 4.16 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCC(=O)c1ccc2c(c1)ccc(c2)SC
  • InChi: 1S/C13H11BrOS/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7H,8H2,1H3
  • InChiKey: LKZLFHXHDRHUAU-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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0015 0.0015
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0008 0.3508
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0115 0.0082 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0001 0.139
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0025 0.5
Echinococcus granulosus tumor protein p63 0.0393 0.0316 0.0302
Loa Loa (eye worm) hypothetical protein 0.0078 0.005 0.0049
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0045 0.0045
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0006
Echinococcus granulosus tar DNA binding protein 0.0071 0.0045 0.003
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 1.1845 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0025 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0022 1
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.005 0.005
Loa Loa (eye worm) hypothetical protein 1.1845 1 1
Echinococcus multilocularis tumor protein p63 0.0393 0.0316 0.0302
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0015 0.0015
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.0122 0.0122
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.0119 0.0104
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0045 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0007 0.0007
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0022 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0007 1
Echinococcus granulosus alpha 16 mannosyl glycoprotein 1.1845 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0006
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0007 1
Brugia malayi hypothetical protein 0.0028 0.0008 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0045 0.003
Onchocerca volvulus 0.0057 0.0033 0.3478
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.0122 0.0108
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0025 0.001
Brugia malayi HSF-type DNA-binding domain containing protein 0.0115 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0078 0.005 0.0035
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0007 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0025 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0114 0.0081 0.008
Loa Loa (eye worm) hypothetical protein 0.0114 0.0081 0.008
Entamoeba histolytica heat shock transcription factor, putative 0.0115 0.0082 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0015 0.0014
Leishmania major hypothetical protein, conserved 0.0028 0.0008 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0008 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0114 0.0081 0.0081
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0008 0.3508
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 1.1845 1 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.0045 0.0043
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0008 0.5
Mycobacterium ulcerans hypothetical protein 0.0027 0.0007 1
Entamoeba histolytica heat shock transcription factor, putative 0.0115 0.0082 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0045 0.003
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0007 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0045 0.0043
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0022 0.1953
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0007 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0045 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0007 1
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0033 0.0018
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0942 0.0781 0.0767
Entamoeba histolytica heat shock transcription factor, putative 0.0115 0.0082 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0007 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0007 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0045 0.003
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0045 0.003
Brugia malayi TAR-binding protein 0.0071 0.0045 0.0045
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0007 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0114 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0057 0.0033 0.0032
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0007 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0007 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0008 0.3008
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.0122 0.0108
Brugia malayi RNA binding protein 0.0071 0.0045 0.0045
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0007 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0007
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0015 0.0014
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.0082 0.0081
Loa Loa (eye worm) acetyltransferase 0.0163 0.0122 0.0121
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0025 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0045 0.003

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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