TDR Targets

Basic information

Technical information

TDR Targets ID: 785249
Name: N-[2-[(3-methylsulfanylphenyl)amino]-2-oxoeth yl]-1-benzofuran-2-carboxamide
MW: 340.396 | Formula: C18H16N2O3S
H donors: 2 H acceptors: 2 LogP: 3.35 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CSc1cccc(c1)NC(=O)CNC(=O)c1cc2c(o1)cccc2
InChi: 1S/C18H16N2O3S/c1-24-14-7-4-6-13(10-14)20-17(21)11-19-18(22)16-9-12-5-2-3-8-15(12)23-16/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
InChiKey: MUJHGANKQUTUDI-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

N-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]benzofuran-2-carboxamide
N-[2-[[3-(methylthio)phenyl]amino]-2-oxoethyl]-2-benzofurancarboxamide
N-[2-keto-2-[[3-(methylthio)phenyl]amino]ethyl]benzofuran-2-carboxamide
N-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]-1-benzofuran-2-carboxamide

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
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0567	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0195	0.3742	1
Plasmodium falciparum	endoplasmin, putative	0.0033	0.0299	0.0393
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0195	0.3742	1
Plasmodium vivax	endoplasmin, putative	0.0046	0.0567	0.0934
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0939	0.0717
Loa Loa (eye worm)	endoplasmin	0.0046	0.0567	0.126
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0939	0.0717
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Echinococcus granulosus	p2X purinoceptor 4	0.0488	1	1
Echinococcus multilocularis	heat shock protein 90	0.0046	0.0567	0.0335
Toxoplasma gondii	Hsp90 domain-containing protein	0.0173	0.3285	0.8696
Schistosoma mansoni	P2X receptor subunit	0.0488	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0567	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0488	1	1
Echinococcus granulosus	heat shock protein	0.0046	0.0567	0.0335
Echinococcus multilocularis	serotonin receptor	0.013	0.2359	0.2171
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0567	1
Trichomonas vaginalis	hypothetical protein	0.0195	0.3742	1
Brugia malayi	hypothetical protein	0.0037	0.0373	0.0515
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0517	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0152	0.2835	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.044	0.0786
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0517	0.1001
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0939	0.0717
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Echinococcus granulosus	muscleblind protein	0.0152	0.2835	0.2659
Loa Loa (eye worm)	hypothetical protein	0.0152	0.2835	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0939	0.2696
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0426	0.7515
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0147	0.2739	0.256
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Schistosoma mansoni	P2X receptor subunit	0.0488	1	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0195	0.3742	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0939	0.0717
Schistosoma mansoni	P2X receptor subunit	0.0488	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0939	0.2696
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.0567	0.126
Brugia malayi	heat shock protein 90	0.0046	0.0567	0.126
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0939	0.2696
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.0567	0.0934
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Schistosoma mansoni	heat shock protein	0.0046	0.0567	0.0335
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.0567	1
Echinococcus multilocularis	serotonin receptor	0.013	0.2359	0.2171
Schistosoma mansoni	endoplasmin	0.0046	0.0567	0.0335
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.0567	1
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0939	0.2696
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.003	0.0239	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0426	0.7515
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.0567	1
Echinococcus granulosus	endoplasmin	0.0043	0.0507	0.0274
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.0567	0.0934
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.0299	0.0393
Plasmodium falciparum	heat shock protein 90	0.0046	0.0567	0.1139
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.0426	0.0191
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0143	0.265	0.247
Brugia malayi	Endoplasmin precursor	0.0046	0.0567	0.126
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0517	0.0793
Brugia malayi	TAR-binding protein	0.0063	0.0939	0.2696
Echinococcus multilocularis	heat shock protein	0.0046	0.0567	0.0335
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Schistosoma mansoni	P2X receptor subunit	0.0488	1	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Trypanosoma cruzi	heat shock protein, putative	0.003	0.0239	0.4226
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0195	0.3742	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0147	0.2739	0.9629
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0195	0.3742	1
Schistosoma mansoni	endoplasmin	0.0046	0.0567	0.0335
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.2835	0.2659
Brugia malayi	Muscleblind-like protein	0.0152	0.2835	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Echinococcus granulosus	p2X purinoceptor 4	0.0488	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0373	0.0137
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0567	1
Schistosoma mansoni	heat shock protein	0.0046	0.0567	0.0335
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0195	0.3742	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0939	0.0717
Schistosoma mansoni	hypothetical protein	0.0037	0.0373	0.0137
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.044	0.1029
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0373	0.0137
Loa Loa (eye worm)	acetyltransferase	0.0147	0.2739	0.9629
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.0567	1
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0567	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Echinococcus granulosus	heat shock protein 90	0.0039	0.0426	0.0191
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0567	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0567	1
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.0507	0.0971
Loa Loa (eye worm)	hypothetical protein	0.013	0.2359	0.8165
Echinococcus multilocularis	p2X purinoceptor 4	0.0488	1	1
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0195	0.3742	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0939	0.0717
Schistosoma mansoni	biogenic amine (5HT) receptor	0.013	0.2359	0.2171
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0195	0.3742	1
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0426	0.0746
Echinococcus granulosus	heat shock protein 90	0.0046	0.0567	0.0335
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0567	1
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.0567	0.1139
Entamoeba histolytica	hypothetical protein	0.0037	0.0373	0.4085
Entamoeba histolytica	hypothetical protein	0.0037	0.0373	0.4085
Entamoeba histolytica	hypothetical protein	0.0037	0.0373	0.4085
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.0507	0.0971
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0517	0.0793
Echinococcus granulosus	biogenic amine 5HT receptor	0.013	0.2359	0.2171
Treponema pallidum	heat shock protein 90	0.0043	0.0507	0.5
Echinococcus multilocularis	muscleblind protein	0.0152	0.2835	0.2659
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.0567	0.0934
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Leishmania major	heat shock protein 83-1	0.0046	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.2359	0.8165
Plasmodium falciparum	heat shock protein 90, putative	0.0173	0.3285	0.8725
Echinococcus multilocularis	p2X purinoceptor 4	0.0488	1	1
Giardia lamblia	Grp94/Hsp90	0.0043	0.0507	0.5748
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0426	0.0191
Echinococcus multilocularis	endoplasmin	0.0043	0.0507	0.0274
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0299	0.0393
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0517	0.1001
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0373	0.0137
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0517	0.0285
Brugia malayi	RNA binding protein	0.0063	0.0939	0.2696
Plasmodium vivax	heat shock protein, putative	0.0173	0.3285	0.8696
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0147	0.2739	0.256
Entamoeba histolytica	hypothetical protein	0.0037	0.0373	0.4085
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0939	0.0717
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.044	0.6139
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.0507	0.817

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 785249