Detailed information for compound 711646

Basic information

Technical information
  • TDR Targets ID: 711646
  • Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methoxyet hyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sul fanyl]acetamide
  • MW: 489.429 | Formula: C22H25BrN4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1CCc1ccccc1
  • InChi: 1S/C22H25BrN4O2S/c1-16-8-10-19(18(23)14-16)24-21(28)15-30-22-26-25-20(27(22)12-13-29-2)11-9-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13,15H2,1-2H3,(H,24,28)
  • InChiKey: CGRVZXSWNBVWSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-bromo-4-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(2-bromo-4-methylphenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(2-bromo-4-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(2-bromo-4-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • ZINC02842917

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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.6488 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.064 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.4958 0.4958
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.4958 0.4958
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.064 0.0986
Loa Loa (eye worm) hypothetical protein 0.0092 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.4958 0.4958
Brugia malayi RNA recognition motif domain containing protein 0.007 0.6899 0.6899
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.5963 0.5963
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.4958 0.7384
Schistosoma mansoni tar DNA-binding protein 0.007 0.6899 0.6899
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.5963 0.919
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.064 0.5
Mycobacterium leprae conserved hypothetical protein 0.0026 0.064 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.6488 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.4958 0.4958
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.5963 0.5963
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.064 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.5963 0.5963
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.4958 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.4958 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.6488 0.6488
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.4958 0.4958
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.4958 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.5358 0.5358
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.6899 0.6899
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.6488 1
Brugia malayi TAR-binding protein 0.007 0.6899 0.6899
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.6488 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.6488 0.6488
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.6488 0.6488
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.4958 0.4958
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.4958 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.6899 0.6899
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.4958 1
Brugia malayi MAP kinase sur-1 0.0056 0.4958 0.4958
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.4958 0.7642
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 1 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.6899 0.6899
Loa Loa (eye worm) RNA binding protein 0.007 0.6899 0.6899
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.064 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.4958 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.5963 0.919
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.6899 0.6899
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.6488 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.6488 0.6488
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.5963 0.5963
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.4958 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.6899 0.6899
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.5963 0.919
Onchocerca volvulus 0.0092 1 0.5
Loa Loa (eye worm) TAR-binding protein 0.007 0.6899 0.6899
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.4958 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.5963 0.919
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.064 0.129
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.4958 1
Entamoeba histolytica hypothetical protein 0.0026 0.064 1
Echinococcus granulosus tar DNA binding protein 0.007 0.6899 0.6899
Schistosoma mansoni tar DNA-binding protein 0.007 0.6899 0.6899
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.6488 1
Trypanosoma brucei protein kinase, putative 0.0056 0.4958 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.064 0.0986
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 1 1
Brugia malayi RNA binding protein 0.007 0.6899 0.6899
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.064 0.0986
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.064 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.4958 0.7642
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.4958 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.064 0.0986

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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