Detailed information for compound 831221

Basic information

Technical information
  • TDR Targets ID: 831221
  • Name: N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl ]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
  • MW: 422.362 | Formula: C17H16BrN3OS2
  • H donors: 1 H acceptors: 3 LogP: 4.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1sc(nc1c1ccc(cc1)Br)NC(=O)Cc1csc(n1)C
  • InChi: 1S/C17H16BrN3OS2/c1-3-14-16(11-4-6-12(18)7-5-11)21-17(24-14)20-15(22)8-13-9-23-10(2)19-13/h4-7,9H,3,8H2,1-2H3,(H,20,21,22)
  • InChiKey: GIXXFUFGXGLCHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-2-(2-methylthiazol-4-yl)acetamide
  • N-[4-(4-bromophenyl)-5-ethyl-2-thiazolyl]-2-(2-methyl-4-thiazolyl)acetamide
  • N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamide

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 cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0358 0.1558
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0000000003222
Plasmodium vivax glutathione reductase, putative 0.0067 0.2215 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0023 0.0518 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0398 0.0215
Echinococcus multilocularis thioredoxin glutathione reductase 0.0067 0.2215 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0023 0.0518 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Brugia malayi glutathione reductase 0.0067 0.2215 0.1992
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0023 0.0518 0.2337
Loa Loa (eye worm) hypothetical protein 0.0269 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0358 0.1615
Mycobacterium tuberculosis Probable oxidoreductase 0.0023 0.0518 0.086
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0023 0.0518 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0067 0.2215 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0793 0.3578
Plasmodium falciparum thioredoxin reductase 0.0067 0.2215 1
Trypanosoma cruzi trypanothione reductase, putative 0.0023 0.0518 0.2284
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.0518 0.2284
Loa Loa (eye worm) hypothetical protein 0.002 0.0398 0.0383
Giardia lamblia NADH oxidase lateral transfer candidate 0.0023 0.0518 0.0166
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0023 0.0518 0.086
Trichomonas vaginalis set domain proteins, putative 0.0242 0.8942 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0398 0.0046
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0358 0.682
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0023 0.0518 0.086
Echinococcus granulosus thioredoxin glutathione reductase 0.0067 0.2215 1
Plasmodium falciparum thioredoxin reductase 0.0023 0.0518 0.086
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0398 0.0215
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0023 0.0518 0.0246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.0518 0.2284
Entamoeba histolytica recQ family DNA helicase 0.001 0.0015 0.0381
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0358 0.0081
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0023 0.0518 0.2337
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Brugia malayi Pre-SET motif family protein 0.003 0.0793 0.0529
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0398 0.0122
Loa Loa (eye worm) hypothetical protein 0.003 0.0793 0.0779
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0398 0.0122
Loa Loa (eye worm) glutathione reductase 0.0067 0.2215 0.2203
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0398 0.0215
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0015 0.0068
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.2215 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0398 0.0215
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.086
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0398 0.0215
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0023 0.0518 0.086
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0793 0.2341
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0358 0.1558
Schistosoma mansoni ap endonuclease 0.0019 0.0358 0.1615
Loa Loa (eye worm) RecQ helicase 0.002 0.0398 0.0383
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0793 0.2341
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0358 0.8998
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0023 0.0518 0.086
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0023 0.0518 0.2337
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.086
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0023 0.0518 0.2337
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0398 0.0122
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0398 0.0046
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0023 0.0518 0.086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0793 0.3578
Onchocerca volvulus 0.0242 0.8942 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0398 0.0215
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.0518 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0749 0.2108
Echinococcus granulosus bloom syndrome protein 0.002 0.0398 0.0215
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0398 0.0215
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0793 0.3578
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.0518 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0023 0.0518 0.086
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0398 0.0041
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0023 0.0518 0.086
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0023 0.0518 0.086
Trypanosoma brucei trypanothione reductase 0.0067 0.2215 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0398 0.1739
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0793 0.3578
Loa Loa (eye worm) hypothetical protein 0.0269 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.0518 0.086
Giardia lamblia Hypothetical protein 0.0269 1 1
Brugia malayi Fibroblast growth factor family protein 0.0269 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0023 0.0518 0.086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.781 0.7807
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0358 0.0343
Brugia malayi Protein kinase domain containing protein 0.0115 0.404 0.3869
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0398 0.0215
Loa Loa (eye worm) thioredoxin reductase 0.0067 0.2215 0.2203
Trichomonas vaginalis mercuric reductase, putative 0.0023 0.0518 0.0186
Toxoplasma gondii exonuclease III APE 0.0019 0.0358 0.1615
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0015 0.0068
Plasmodium vivax SET domain protein, putative 0.003 0.0793 0.3578
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0358 0.1615
Brugia malayi Thioredoxin reductase 0.0067 0.2215 0.1992
Brugia malayi Pre-SET motif family protein 0.0212 0.781 0.7748
Toxoplasma gondii thioredoxin reductase 0.0067 0.2215 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0398 0.1795
Schistosoma mansoni DNA helicase recq1 0.002 0.0398 0.1795
Trichomonas vaginalis glutathione reductase, putative 0.0023 0.0518 0.0186
Leishmania major trypanothione reductase 0.0067 0.2215 1
Plasmodium falciparum glutathione reductase 0.0023 0.0518 0.086
Echinococcus multilocularis bloom syndrome protein 0.002 0.0398 0.0215
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0398 0.0046
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0398 0.0383
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0793 0.3578
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0023 0.0518 1
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0015 0.0068
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0023 0.0518 0.086
Treponema pallidum NADH oxidase 0.0023 0.0518 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0023 0.0518 0.086
Plasmodium vivax thioredoxin reductase, putative 0.0067 0.2215 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0398 0.1795
Toxoplasma gondii NADPH-glutathione reductase 0.0023 0.0518 0.2337
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0023 0.0518 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0518 0.2284
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0793 0.2341
Loa Loa (eye worm) hypothetical protein 0.0115 0.404 0.4031
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0398 0.1795
Plasmodium falciparum glutathione reductase 0.0067 0.2215 1
Entamoeba histolytica recQ family helicase, putative 0.002 0.0398 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.0518 0.086

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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