Detailed information for compound 623186

Basic information

Technical information
  • TDR Targets ID: 623186
  • Name: (3-bromophenyl)-[2-[(3-fluorophenyl)methylsul fanyl]-4,5-dihydroimidazol-1-yl]methanone
  • MW: 393.273 | Formula: C17H14BrFN2OS
  • H donors: 0 H acceptors: 1 LogP: 4.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CSC1=NCCN1C(=O)c1cccc(c1)Br
  • InChi: 1S/C17H14BrFN2OS/c18-14-5-2-4-13(10-14)16(22)21-8-7-20-17(21)23-11-12-3-1-6-15(19)9-12/h1-6,9-10H,7-8,11H2
  • InChiKey: OZYVAJNUGRJSMA-UHFFFAOYSA-N  

Network

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Synonyms

  • (3-bromophenyl)-[2-[(3-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
  • (3-bromophenyl)-[2-[(3-fluorobenzyl)thio]-4,5-dihydroimidazol-1-yl]methanone
  • ZINC04119878

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
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0067 0.0113
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.5852 1
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.5922 1
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0026 0.0274 0.0208
Echinococcus multilocularis geminin 0.0169 0.4187 0.7154
Onchocerca volvulus 0.0047 0.0849 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0382 1 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0382 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0026 0.0274 0.0208
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0382 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0026 0.0274 0.0208
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0026 0.0274 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0026 0.0274 0.0467
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0026 0.0274 0.0208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0274 0.0208
Loa Loa (eye worm) hypothetical protein 0.0146 0.3549 0.5992
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0382 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Mycobacterium tuberculosis Possible oxidoreductase 0.0026 0.0274 0.0208
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.0274 0.0462
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0026 0.0274 0.0208
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0382 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Schistosoma mansoni dihydropteridine reductase 0.0026 0.0274 0.0653
Leishmania major pteridine reductase 1 0.0026 0.0274 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Schistosoma mansoni ap endonuclease 0.0018 0.0067 0.016
Schistosoma mansoni survival motor neuron protein 0.0047 0.0849 0.2028
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.5922 1
Schistosoma mansoni hypothetical protein 0.0169 0.4187 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0026 0.0274 0.0208
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0067 0.0114
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.0274 0.0462
Brugia malayi Muscleblind-like protein 0.0146 0.3549 0.5992
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0026 0.0274 0.0208
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0026 0.0274 0.0208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0274 0.0208
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0274 0.0208
Trypanosoma brucei oxidoreductase-like protein 0.0026 0.0274 1
Loa Loa (eye worm) oxidoreductase 0.0026 0.0274 0.0462
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0026 0.0274 0.0467
Trypanosoma brucei pteridine reductase 1 0.0026 0.0274 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0067 0.0113
Schistosoma mansoni hypothetical protein 0.0169 0.4187 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0382 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0067 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 0.3549 0.5992
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0026 0.0274 0.0208
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Echinococcus granulosus survival motor neuron protein 1 0.023 0.5852 1
Leishmania major oxidoreductase-like protein 0.0026 0.0274 1
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0026 0.0274 1
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Loa Loa (eye worm) retinol dehydrogenase 12 0.0026 0.0274 0.0462
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0026 0.0274 1
Trichomonas vaginalis hypothetical protein 0.0382 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Plasmodium falciparum enoyl-acyl carrier reductase 0.0382 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0.0274 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Echinococcus multilocularis muscleblind protein 0.0146 0.3549 0.6064
Echinococcus multilocularis muscleblind protein 1 0.0146 0.3549 0.6064
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Schistosoma mansoni hypothetical protein 0.0047 0.0849 0.2028
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.0274 1
Brugia malayi MH2 domain containing protein 0.0232 0.5922 1
Echinococcus granulosus muscleblind protein 0.0146 0.3549 0.6064
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0274 1
Echinococcus granulosus geminin 0.0169 0.4187 0.7154
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Mycobacterium ulcerans oxidoreductase 0.0026 0.0274 0.0208
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0026 0.0274 0.0208
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0067 0.0114
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0026 0.0274 0.0462
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0026 0.0274 0.0208
Schistosoma mansoni ap endonuclease 0.0018 0.0067 0.016
Loa Loa (eye worm) hypothetical protein 0.023 0.5852 0.9881
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.0274 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0026 0.0274 0.0653
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0274 0.0208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0274 0.0208
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0274 0.0208
Loa Loa (eye worm) hypothetical protein 0.0026 0.0274 0.0462
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0274 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0849 0.1433
Brugia malayi hypothetical protein 0.023 0.5852 0.9881
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0026 0.0274 0.0208
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0067 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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