TDR Targets

Basic information

Technical information

TDR Targets ID: 672570
Name: 4-bromo-N-(2-cyclohexylsulfanylethyl)benzamid e
MW: 342.294 | Formula: C15H20BrNOS
H donors: 1 H acceptors: 1 LogP: 4.35 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)Br)NCCSC1CCCCC1
InChi: 1S/C15H20BrNOS/c16-13-8-6-12(7-9-13)15(18)17-10-11-19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,17,18)
InChiKey: FEQJDIKRJOWNOY-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-bromo-N-[2-(cyclohexylthio)ethyl]benzamide
ZINC02814563

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	protein kinase	0.196	0.6569	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0008	0.0012
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0074	0.0196	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0066	0.017	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0029	0.1107
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0074	0.0196	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0063	0.0095
Leishmania major	hypothetical protein, conserved	0.0025	0.0029	0.0023
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0097	0.0147
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0029	0.1107
Echinococcus granulosus	inositol monophosphatase 1	0.0074	0.0196	0.0196
Echinococcus granulosus	geminin	0.0174	0.0536	0.0535
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0196	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0008	0.0012
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.196	0.6569	0.6568
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0066	0.017	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0029	0.0043
Brugia malayi	Neuronal symmetry protein 1	0.196	0.6569	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0097	0.0147
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0796	0.2637	0.2646
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0097	0.0097
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.196	0.6569	0.6591
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0029	0.1107
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0593	0.195	1
Echinococcus multilocularis	muscleblind protein 1	0.0298	0.0953	0.0956
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0105	0.0159
Echinococcus multilocularis	muscleblind protein	0.0298	0.0953	0.0956
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0196	1
Onchocerca volvulus		0.0047	0.0105	1
Loa Loa (eye worm)	hypothetical protein	0.0298	0.0953	0.1453
Loa Loa (eye worm)	hypothetical protein	0.1957	0.6559	1
Echinococcus multilocularis	geminin	0.0174	0.0536	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0008	0.0012
Schistosoma mansoni	hypothetical protein	0.0047	0.0105	0.0159
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0029	0.0044
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0196	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0117	0.0178
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0029	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0097	0.0147
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.0723	0.0723
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0029	0.1107
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0008	0.0203
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0196	0.0869
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0029	0.1107
Loa Loa (eye worm)	hypothetical protein	0.005	0.0117	0.0178
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0196	0.0298
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0593	0.195	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0029	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0298	0.0953	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0008	0.0012
Schistosoma mansoni	hypothetical protein	0.0035	0.0063	0.0095
Schistosoma mansoni	hypothetical protein	0.0174	0.0536	0.0815
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0029	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0117	0.0178
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0593	0.195	0.2973
Loa Loa (eye worm)	hypothetical protein	0.023	0.0723	0.1102
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0117	0.0178
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0097	0.0147
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0074	0.0196	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.2965	0.9965	1
Brugia malayi	hypothetical protein	0.0025	0.0029	0.0045
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0029	0.1107
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0105	0.016
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0074	0.0196	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0029	0.1107
Brugia malayi	hypothetical protein	0.023	0.0723	0.1101
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.0723	0.0725
Trichomonas vaginalis	inositol monophosphatase, putative	0.0074	0.0196	0.5
Brugia malayi	Inositol-1	0.0074	0.0196	0.0299
Schistosoma mansoni	protein kinase	0.196	0.6569	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0029	0.1107
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0029	1
Brugia malayi	Muscleblind-like protein	0.0298	0.0953	0.1451
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0063	0.0096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0097	0.0096
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0001	0.0001
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0196	0.0869
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0097	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0029	0.0044
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0029	0.1464
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0196	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.0536	0.0815
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0001	0.0001
Echinococcus granulosus	muscleblind protein	0.0298	0.0953	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0029	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0008	0.0012
Loa Loa (eye worm)	hypothetical protein	0.059	0.194	0.2958
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0008	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0097	0.0096
Echinococcus multilocularis	inositol monophosphatase 1	0.0074	0.0196	0.0196
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0196	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0029	0.0044
Loa Loa (eye worm)	inositol-1	0.0074	0.0196	0.0298
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0029	0.1464
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0097	0.0097
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0029	0.0044

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 672570