Detailed information for compound 771571

Basic information

Technical information
  • TDR Targets ID: 771571
  • Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]su lfanyl]but-2-yn-1-ol
  • MW: 325.181 | Formula: C12H9BrN2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC#CCSc1nnc(o1)c1cccc(c1)Br
  • InChi: 1S/C12H9BrN2O2S/c13-10-5-3-4-9(8-10)11-14-15-12(17-11)18-7-2-1-6-16/h3-5,8,16H,6-7H2
  • InChiKey: KCYBWWXWCSTODD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-yn-1-ol
  • ZINC04704617
  • STK177511

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) PHD-finger family protein 0.002 0.0066 0.0066
Brugia malayi PHD-finger family protein 0.0024 0.0804 0.0804
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4399 0.4399
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4399 0.4399
Loa Loa (eye worm) hypothetical protein 0.004 0.3535 0.3535
Schistosoma mansoni bromodomain containing protein 0.0062 0.7425 0.7425
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4399 0.4399
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.4399 0.4399
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.2706 0.2706
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.5351 0.5351
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.6808 0.6808
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.5351 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.3865 0.3865
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4399 0.4399
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.6808 0.6808
Onchocerca volvulus 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.3127 0.3127
Brugia malayi Bromodomain containing protein 0.0037 0.3115 0.3115
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.6289 0.6289
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0396 0.0396
Brugia malayi Bromodomain containing protein 0.0073 0.9447 0.9447
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4399 0.4399
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4399 0.4399
Schistosoma mansoni hypothetical protein 0.002 0.0066 0.0066
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0396 0.0396
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.1155 0.1155
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 1 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.1155 0.1155
Echinococcus granulosus peptidase Clp S14 family 0.005 0.5351 0.5351
Schistosoma mansoni lipoxygenase 0.0055 0.6289 0.6289
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.5351 0.4744
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.2706 0.2706
Plasmodium falciparum 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 0.5351 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.6289 0.6289
Loa Loa (eye worm) hypothetical protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.8709 0.8709
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4399 0.4399
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.4399 0.4399
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0396 0.0396
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 1 1
Onchocerca volvulus 0.002 0 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 1 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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