Detailed information for compound 909540

Basic information

Technical information
  • TDR Targets ID: 909540
  • Name: 2-(4-bromophenyl)-5-[(2-chloro-6-fluorophenyl )methylsulfanyl]-1,3,4-oxadiazole
  • MW: 399.665 | Formula: C15H9BrClFN2OS
  • H donors: 0 H acceptors: 2 LogP: 5.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)c1nnc(o1)SCc1c(F)cccc1Cl
  • InChi: 1S/C15H9BrClFN2OS/c16-10-6-4-9(5-7-10)14-19-20-15(21-14)22-8-11-12(17)2-1-3-13(11)18/h1-7H,8H2
  • InChiKey: ORBIZBBERXGBCV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-bromophenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,3,4-oxadiazole
  • 2-(4-bromophenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-1,3,4-oxadiazole
  • 2-(4-bromophenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-1,3,4-oxadiazole
  • CBMicro_012053
  • BIM-0011885.P001
  • ZINC00843666
  • STOCK1S-42576
  • 2-(4-Bromo-phenyl)-5-(2-chloro-6-fluoro-benzylsulfanyl)-[1,3,4]oxadiazole
  • BAS 00890255

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) transcription factor SMAD2 0.0117 0.4826 0.7587
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3543 0.6025
Trichomonas vaginalis esterase, putative 0.0035 0.0944 0.7162
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.6071 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0133 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.5182 0.8536
Schistosoma mansoni tar DNA-binding protein 0.0125 0.5182 0.8536
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3543 0.5836
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0944 1
Brugia malayi hypothetical protein 0.015 0.6361 1
Echinococcus multilocularis tar DNA binding protein 0.0125 0.5182 0.8536
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.7162
Loa Loa (eye worm) acetyltransferase 0.0144 0.6071 0.9545
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.7162
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0944 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0133 0.0209
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0944 0.0822
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0854 0.1343
Mycobacterium ulcerans lipase LipD 0.0035 0.0944 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0445 0.2751
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0445 0.3226
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.5182 0.8147
Schistosoma mansoni tar DNA-binding protein 0.0125 0.5182 0.8536
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0944 0.7162
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0944 0.1606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3543 0.5836
Echinococcus granulosus tar DNA binding protein 0.0125 0.5182 0.8813
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1266 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.3543 0.557
Loa Loa (eye worm) RNA binding protein 0.0125 0.5182 0.8147
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1591 0.25
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.6071 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0133 0.0219
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3543 0.5836
Brugia malayi MH2 domain containing protein 0.0117 0.4826 0.7587
Leishmania major hypothetical protein, conserved 0.0035 0.0944 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0944 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0944 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0944 0.1484
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0944 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1099 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3543 0.5836
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1555
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4826 0.7587
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0133 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.1266 1
Brugia malayi RNA binding protein 0.0125 0.5182 0.8147
Schistosoma mansoni tar DNA-binding protein 0.0125 0.5182 0.8536
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0944 0.0822
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.1266 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0944 0.1484
Schistosoma mansoni hypothetical protein 0.0034 0.0854 0.1407
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0944 0.0822
Loa Loa (eye worm) hypothetical protein 0.0025 0.0445 0.0699
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0944 0.0822
Brugia malayi TAR-binding protein 0.0125 0.5182 0.8147
Loa Loa (eye worm) hypothetical protein 0.015 0.6361 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0944 0.0822
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0944 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0944 0.7162
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.7162
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0445 0.3841
Brugia malayi beta-lactamase 0.0035 0.0944 0.1484
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0944 0.1555
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1099 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0944 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0445 0.3226
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0445 0.3841
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3543 0.5836
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0944 0.0822
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1266 0.2152
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1099 1
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.6071 0.9545
Schistosoma mansoni tar DNA-binding protein 0.0125 0.5182 0.8536
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0944 0.7162
Loa Loa (eye worm) hypothetical protein 0.0049 0.1591 0.25
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.588 1
Schistosoma mansoni ap endonuclease 0.0018 0.0133 0.0219
Loa Loa (eye worm) hypothetical protein 0.0034 0.0854 0.1343
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.3543 0.557
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0822
Mycobacterium ulcerans beta-lactamase 0.0035 0.0944 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0822
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0133 0.0209
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.1266 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0445 0.3841
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3543 0.6025
Loa Loa (eye worm) TAR-binding protein 0.0125 0.5182 0.8147
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0445 0.2751
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1484
Brugia malayi hypothetical protein 0.0016 0.0026 0.0041
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0944 0.0822
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1555
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0822
Schistosoma mansoni ap endonuclease 0.0018 0.0133 0.0219
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1266 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0944 0.1484
Leishmania major hypothetical protein, conserved 0.0025 0.0445 0.3841
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1591 0.25
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0133 0.0226
Onchocerca volvulus 0.015 0.6361 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0944 0.7162
Brugia malayi hypothetical protein 0.0025 0.0445 0.0699
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.5182 0.8147
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1484
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1591 0.25

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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