Detailed information for compound 681968

Basic information

Technical information
  • TDR Targets ID: 681968
  • Name: 4-bromo-N-[2-[[4-(4-methoxyphenyl)-3H-imidazo l-2-yl]sulfanyl]ethyl]benzamide
  • MW: 432.334 | Formula: C19H18BrN3O2S
  • H donors: 2 H acceptors: 2 LogP: 4.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1c[nH]c(n1)SCCNC(=O)c1ccc(cc1)Br
  • InChi: 1S/C19H18BrN3O2S/c1-25-16-8-4-13(5-9-16)17-12-22-19(23-17)26-11-10-21-18(24)14-2-6-15(20)7-3-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
  • InChiKey: JIQIJYGJYGXXDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-[2-[[4-(4-methoxyphenyl)-3H-imidazol-2-yl]thio]ethyl]benzamide

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 nitric oxide synthase, putative 0.0546 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0209 0.3655 0.5
Schistosoma mansoni cytochrome B5 0.0062 0.0892 0.0669
Chlamydia trachomatis sulfite reductase 0.0337 0.6069 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0546 1 1
Loa Loa (eye worm) hypothetical protein 0.0546 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.023 0.023
Trichomonas vaginalis sulfite reductase, putative 0.0546 1 1
Echinococcus multilocularis methionine synthase reductase 0.0337 0.6069 0.5973
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0546 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0484 0.8832 0.8717
Echinococcus multilocularis cytochrome b5 reductase 4 0.0062 0.0892 0.0669
Giardia lamblia Nitric oxide synthase, inducible 0.0484 0.8832 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0239 0.0239
Trypanosoma cruzi p450 reductase, putative 0.0546 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0209 0.3655 0.5
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0209 0.3655 0.3033
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0062 0.0892 0.0669
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0546 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0546 1 1
Mycobacterium tuberculosis Possible oxygenase 0.0062 0.0892 0.5
Leishmania major p450 reductase, putative 0.0546 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0546 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0546 1 1
Brugia malayi flavodoxin family protein 0.0209 0.3655 0.3655
Brugia malayi diaphorase 0.0062 0.0892 0.0892
Echinococcus granulosus cytochrome b5 reductase 4 0.0062 0.0892 0.0669
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0239 0.0239
Brugia malayi FAD binding domain containing protein 0.0546 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0546 1 1
Treponema pallidum flavodoxin 0.0209 0.3655 1
Mycobacterium tuberculosis Probable monooxygenase 0.0062 0.0892 0.5
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0062 0.0892 0.0669
Mycobacterium tuberculosis Probable oxidoreductase 0.0062 0.0892 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0484 0.8832 0.8159
Giardia lamblia Hypothetical protein 0.0484 0.8832 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0546 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0546 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0271 0.4823 1
Schistosoma mansoni cytochrome P450 reductase 0.0546 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0337 0.6069 0.5973
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0209 0.3655 0.3033
Leishmania major hypothetical protein, conserved 0.0209 0.3655 0.3033
Echinococcus granulosus methionine synthase reductase 0.0337 0.6069 0.5973
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0062 0.0892 0.5
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0209 0.3655 0.3033
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0062 0.0892 0.0892
Plasmodium vivax hypothetical protein, conserved 0.0209 0.3655 0.3033
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0546 1 1
Brugia malayi FAD binding domain containing protein 0.0337 0.6069 0.6069
Echinococcus granulosus cytochrome b5 reductase 4 0.0062 0.0892 0.0669
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0062 0.0892 0.5
Brugia malayi intermediate filament protein 0.0027 0.0239 0.0239
Loa Loa (eye worm) flavodoxin family protein 0.0209 0.3655 0.3655
Loa Loa (eye worm) diaphorase 0.0062 0.0892 0.0892
Leishmania major cytochrome P450 reductase, putative 0.0484 0.8832 0.8717
Loa Loa (eye worm) hypothetical protein 0.0027 0.0239 0.0239
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0239 0.0239
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0062 0.0892 0.0892
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0209 0.3655 0.3033
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0546 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0546 1 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0209 0.3655 0.3033
Schistosoma mansoni NADPH flavin oxidoreductase 0.0275 0.4901 0.4776
Schistosoma mansoni diflavin oxidoreductase 0.0271 0.4823 0.4696
Entamoeba histolytica type A flavoprotein, putative 0.0209 0.3655 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0209 0.3655 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0209 0.3655 0.3033
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0546 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0271 0.4823 1
Onchocerca volvulus 0.0062 0.0892 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0546 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0546 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0337 0.6069 0.6069
Entamoeba histolytica type A flavoprotein, putative 0.0209 0.3655 0.5
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0062 0.0892 0.0669

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.