Detailed information for compound 892894

Basic information

Technical information
  • TDR Targets ID: 892894
  • Name: phenylmethyl 2-[[5-(4-bromophenyl)-1,3,4-oxad iazol-2-yl]sulfanyl]acetate
  • MW: 405.266 | Formula: C17H13BrN2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OCc1ccccc1)CSc1nnc(o1)c1ccc(cc1)Br
  • InChi: 1S/C17H13BrN2O3S/c18-14-8-6-13(7-9-14)16-19-20-17(23-16)24-11-15(21)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2
  • InChiKey: XDFZLDQCDNYZCI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid phenylmethyl ester
  • 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid benzyl ester
  • phenylmethyl 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate
  • BAS 00890260
  • ZINC00651517
  • AG-690/12409460
  • BIM-0006372.P001
  • CBMicro_006312
  • [5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid benzyl ester

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
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.125 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.125 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.125 1 0.5
Treponema pallidum flavodoxin 0.0478 0 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.062 0.1841 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.125 1 1
Loa Loa (eye worm) hypothetical protein 0.125 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.125 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0478 0 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0478 0 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.063 0.1964 0.0151
Giardia lamblia Hypothetical protein 0.1108 0.8159 0.5
Schistosoma mansoni cytochrome P450 reductase 0.125 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0478 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.125 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.125 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.125 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.125 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.125 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.1108 0.8159 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.125 1 1
Brugia malayi FAD binding domain containing protein 0.0772 0.3805 0.3805
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.125 1 1
Trichomonas vaginalis sulfite reductase, putative 0.125 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0478 0 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0478 0 0.5
Trypanosoma cruzi p450 reductase, putative 0.125 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0772 0.3805 0.2407
Plasmodium vivax flavodoxin domain containing protein 0.1108 0.8159 0.8159
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.125 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.125 1 1
Chlamydia trachomatis sulfite reductase 0.0772 0.3805 0.5
Leishmania major cytochrome P450 reductase, putative 0.1108 0.8159 0.8159
Toxoplasma gondii flavodoxin domain-containing protein 0.062 0.1841 0.5
Brugia malayi FAD binding domain containing protein 0.125 1 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.1108 0.8159 0.8159
Leishmania major p450 reductase, putative 0.125 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0772 0.3805 0.3805
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.125 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.125 1 1

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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