Detailed information for compound 817096

Basic information

Technical information
  • TDR Targets ID: 817096
  • Name: (2-oxo-1,3-benzoxathiol-5-yl) 2-bromobenzoate
  • MW: 351.172 | Formula: C14H7BrO4S
  • H donors: 0 H acceptors: 2 LogP: 4.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2c(s1)cc(cc2)OC(=O)c1ccccc1Br
  • InChi: 1S/C14H7BrO4S/c15-10-4-2-1-3-9(10)13(16)18-8-5-6-11-12(7-8)20-14(17)19-11/h1-7H
  • InChiKey: VQAKOYDZSYSJOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-bromobenzoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester
  • 2-bromobenzoic acid (2-keto-1,3-benzoxathiol-5-yl) ester
  • 2-Bromo-benzoic acid 2-oxo-benzo[1,3]oxathiol-5-yl ester
  • BAS 01316960
  • AE-848/12505014
  • STOCK1S-76922
  • ZINC00708679
  • Oprea1_103956
  • BIM-0006944.P001
  • CBMicro_006949
  • Oprea1_616248

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 0.0049 0.0669 0.1305
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Schistosoma mansoni hypothetical protein 0.018 0.3422 0.5643
Schistosoma mansoni endoplasmin 0.0049 0.0669 0.1103
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0723 0.1471
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0667 0.11
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0046 0.0606 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0042 0.0522 0.0522
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Onchocerca volvulus 0.0051 0.0723 0.1932
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Brugia malayi translation initiation factor 4E 0.0037 0.0417 0.0848
Echinococcus granulosus endoplasmin 0.0046 0.0606 0.0606
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0667 0.1358
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1059 0.1747
Echinococcus multilocularis acetylcholinesterase 0.0072 0.1158 0.1158
Schistosoma mansoni heat shock protein 0.0032 0.0327 0.0539
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0408 0.0829
Trypanosoma cruzi heat shock protein 90, putative 0.0042 0.0522 0.7515
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1059 0.1059
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.2632
Echinococcus granulosus survival motor neuron protein 1 0.0251 0.4915 0.4915
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0037 0.0417 0.0417
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1059 0.1747
Echinococcus granulosus heat shock protein 0.0049 0.0669 0.0669
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0037 0.0417 0.0687
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0046 0.0606 0.5
Echinococcus granulosus tar DNA binding protein 0.0067 0.1059 0.1059
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Trypanosoma brucei Heat shock protein 83, putative 0.0049 0.0669 1
Echinococcus multilocularis endoplasmin 0.0046 0.0606 0.0606
Giardia lamblia Heat shock protein HSP 90-alpha 0.0049 0.0669 1
Schistosoma mansoni hypothetical protein 0.0038 0.045 0.0742
Trichomonas vaginalis heat shock protein, putative 0.0049 0.0669 1
Brugia malayi Hsp90 protein 0.0032 0.0327 0.0665
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Entamoeba histolytica hypothetical protein 0.0038 0.045 0.36
Onchocerca volvulus Huntingtin homolog 0.013 0.2377 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.045 0.0742
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0072 0.1158 0.191
Brugia malayi heat shock protein 90 0.0049 0.0669 0.1361
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.045 0.045
Trypanosoma cruzi heat shock protein 85, putative 0.0049 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1158 0.2357
Entamoeba histolytica hypothetical protein 0.0038 0.045 0.36
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0046 0.0606 0.817
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0032 0.0327 0.0327
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.4093
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Echinococcus multilocularis survival motor neuron protein 1 0.0251 0.4915 0.4915
Brugia malayi Carboxylesterase family protein 0.0072 0.1158 0.2357
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Schistosoma mansoni heat shock protein 0.0049 0.0669 0.1103
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Trypanosoma cruzi heat shock protein 85, putative 0.0049 0.0669 1
Toxoplasma gondii heat shock protein 90, putative 0.0049 0.0669 0.1074
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.4093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0667 0.0667
Echinococcus multilocularis heat shock protein 90 0.0042 0.0522 0.0522
Loa Loa (eye worm) carboxylesterase 0.0072 0.1158 0.2357
Trypanosoma brucei heat shock protein 90, putative 0.0049 0.0669 1
Echinococcus multilocularis acetylcholinesterase 0.0072 0.1158 0.1158
Echinococcus granulosus neuropeptide receptor A26 0.0493 1 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0184 0.3516 1
Brugia malayi RNA binding protein 0.0067 0.1059 0.2156
Loa Loa (eye worm) heat shock protein 75 0.0032 0.0327 0.0665
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0037 0.0417 0.0417
Plasmodium vivax heat shock protein 86, putative 0.0049 0.0669 0.1074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0667 0.0667
Giardia lamblia Grp94/Hsp90 0.0046 0.0606 0.5748
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1059 0.2156
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0522 0.655
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0759 0.1544
Leishmania major eukaryotic translation initiation factor-like 0.0037 0.0417 0.2632
Entamoeba histolytica heat shock protein 90, putative 0.0049 0.0669 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0408 0.0829
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0667 0.0667
Entamoeba histolytica hypothetical protein 0.0038 0.045 0.36
Echinococcus multilocularis neuropeptide s receptor 0.0493 1 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Schistosoma mansoni hypothetical protein 0.0051 0.0723 0.1192
Echinococcus multilocularis X box binding protein 1 0.0305 0.6065 0.6065
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0037 0.0417 0.5746
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1059 0.1747
Loa Loa (eye worm) hypothetical protein 0.013 0.2377 0.4836
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.045 0.045
Echinococcus granulosus heat shock protein 90 0.0042 0.0522 0.0522
Echinococcus multilocularis heat shock protein 90 0.0049 0.0669 0.0669
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0759 0.1544
Plasmodium falciparum endoplasmin, putative 0.0035 0.0389 0.045
Loa Loa (eye worm) hypothetical protein 0.0072 0.1158 0.2357
Plasmodium falciparum heat shock protein 90, putative 0.0184 0.3516 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0667 0.0667
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1059 0.1747
Echinococcus granulosus geminin 0.018 0.3422 0.3422
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0759 0.1544
Brugia malayi TAR-binding protein 0.0067 0.1059 0.2156
Brugia malayi Endoplasmin precursor 0.0049 0.0669 0.1361
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0667 0.11
Trichomonas vaginalis endoplasmin, putative 0.0035 0.0389 0.345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0667 0.11
Echinococcus granulosus carboxylesterase 5A 0.0072 0.1158 0.1158
Echinococcus multilocularis neuropeptide receptor A26 0.0493 1 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0037 0.0417 0.0283
Echinococcus granulosus acetylcholinesterase 0.0072 0.1158 0.1158
Plasmodium vivax heat shock protein, putative 0.0184 0.3516 1
Brugia malayi hypothetical protein 0.013 0.2377 0.4836
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0606 0.8533
Loa Loa (eye worm) hypothetical protein 0.0053 0.0759 0.1544
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0046 0.0606 0.5
Loa Loa (eye worm) endoplasmin 0.0049 0.0669 0.1361
Mycobacterium ulcerans heat shock protein 90 0.0046 0.0606 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.2632
Brugia malayi hypothetical protein 0.0251 0.4915 1
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.4093
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0037 0.0417 0.2632
Echinococcus multilocularis geminin 0.018 0.3422 0.3422
Echinococcus granulosus acetylcholinesterase 0.0072 0.1158 0.1158
Entamoeba histolytica hypothetical protein 0.0038 0.045 0.36
Trypanosoma brucei heat shock protein 90, putative 0.0049 0.0669 1
Trypanosoma cruzi heat shock protein 85, putative 0.0042 0.0522 0.7515
Trypanosoma cruzi Heat shock protein 83, putative 0.0049 0.0669 1
Onchocerca volvulus Huntingtin homolog 0.013 0.2377 1
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Plasmodium vivax endoplasmin, putative 0.0049 0.0669 0.1074
Trypanosoma cruzi heat shock protein 90, putative 0.0049 0.0669 1
Trypanosoma cruzi heat shock protein, putative 0.0032 0.0327 0.4226
Loa Loa (eye worm) hypothetical protein 0.013 0.2377 0.4836
Trypanosoma brucei heat shock protein, putative 0.0049 0.0669 1
Schistosoma mansoni heat shock protein 0.0049 0.0669 0.1103
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0672
Loa Loa (eye worm) hypothetical protein 0.0251 0.4915 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Toxoplasma gondii heat shock protein HSP90 0.0049 0.0669 0.1074
Echinococcus multilocularis carboxylesterase 5A 0.0072 0.1158 0.1158
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0037 0.0417 0.5746
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0606 0.8533
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0032 0.0327 0.0327
Brugia malayi hypothetical protein 0.0038 0.045 0.0915
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0037 0.0417 0.4093
Entamoeba histolytica heat shock protein 90, putative 0.0049 0.0669 1
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Echinococcus multilocularis heat shock protein 0.0049 0.0669 0.0669
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1059 0.1747
Schistosoma mansoni endoplasmin 0.0049 0.0669 0.1103
Trypanosoma cruzi heat shock protein 85, putative 0.0049 0.0669 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0667 0.1358
Leishmania major eukaryotic translation initiation factor-like protein 0.0037 0.0417 0.2632
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1059 0.2156
Treponema pallidum heat shock protein 90 0.0046 0.0606 0.5
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0037 0.0417 0.2632
Loa Loa (eye worm) translation initiation factor 4E 0.0037 0.0417 0.0848
Schistosoma mansoni hypothetical protein 0.0305 0.6065 1
Loa Loa (eye worm) heat shock protein 90 0.0049 0.0669 0.1361
Loa Loa (eye worm) acetylcholinesterase 1 0.0072 0.1158 0.2357
Echinococcus granulosus heat shock protein 90 0.0049 0.0669 0.0669
Brugia malayi Carboxylesterase family protein 0.0072 0.1158 0.2357
Echinococcus granulosus X box binding protein 1 0.0305 0.6065 0.6065
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1059 0.2156
Loa Loa (eye worm) RNA binding protein 0.0067 0.1059 0.2156
Schistosoma mansoni hypothetical protein 0.018 0.3422 0.5643
Schistosoma mansoni survival motor neuron protein 0.0051 0.0723 0.1192
Leishmania major heat shock protein 83-1 0.0049 0.0669 1
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0389 0.345

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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