TDR Targets

Basic information

Technical information

TDR Targets ID: 646937
Name: N-[2-(2-butylamino-2-oxoethyl)sulfanyl-1,3-be nzothiazol-6-yl]benzamide
MW: 399.53 | Formula: C20H21N3O2S2
H donors: 2 H acceptors: 3 LogP: 4.65 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1
InChi: 1S/C20H21N3O2S2/c1-2-3-11-21-18(24)13-26-20-23-16-10-9-15(12-17(16)27-20)22-19(25)14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,21,24)(H,22,25)
InChiKey: YIOAXNCSCYORIV-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-(2-butylamino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide
N-[2-[(2-butylamino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]benzamide
N-[2-[(2-butylamino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]benzamide
ZINC02188509
A1533/0066660
AG-205/37007270

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
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.1039	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1119	0.1119
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.1119	0.0155
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0866	0.137
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0414	0.0414
Brugia malayi	Bromodomain containing protein	0.0072	0.8006	0.7936
Schistosoma mansoni	polycystin 1-related	0.0019	0.0338	0.0073
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0024	0.1039	0.1653
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.6379	0.6279
Brugia malayi	TAR-binding protein	0.0061	0.6379	0.6252
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.6172	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0866	0.137
Loa Loa (eye worm)	hypothetical protein	0.0068	0.7409	0.7409
Loa Loa (eye worm)	RNA binding protein	0.0061	0.6379	0.6379
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0338	0.0073
Entamoeba histolytica	hypothetical protein	0.0024	0.1039	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.6172	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.6172	0.6067
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.587	0.5756
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0866	0.0546
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0338	0.0073
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.6379	0.6279
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.6379	0.6279
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0338	0.0338
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0338	0.2873
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0866	0.0866
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.1119	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0338	0.0338
Leishmania major	hypothetical protein, conserved	0.0025	0.1119	0.0477
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.6172	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0681	0.0426
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0866	0.137
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0024	0.1039	0.1653
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.1039	0.9272
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.1119	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.6172	0.6067
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0866	0.137
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.6172	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0023	0.0023
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.2551	0.2346
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.587	0.5756
Schistosoma mansoni	bromodomain containing protein	0.0061	0.637	0.627
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.6379	0.6279
Schistosoma mansoni	lipoxygenase	0.0054	0.5387	0.5261
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	1	1
Echinococcus granulosus	tar DNA binding protein	0.0061	0.6379	0.6279
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0866	0.137
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0866	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0866	0.0866
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.1039	0.5
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0338	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0866	0.0866
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0338	0.0073
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.1039	0.9272
Loa Loa (eye worm)	hypothetical protein	0.0039	0.3222	0.3222
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.6379	0.6279
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.6379	0.6379
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0023	0.0023
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.2551	0.2346
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0681	0.0426
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.6172	0.6067
Schistosoma mansoni	rab6-interacting	0.0019	0.0338	0.0073
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.5387	0.5261
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.1119	0.5
Onchocerca volvulus		0.0086	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.6379	0.6279
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0866	0.137
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.6172	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.1119	1
Echinococcus granulosus	RUN	0.0019	0.0338	0.0073
Schistosoma mansoni	loxhd1	0.0019	0.0338	0.0073
Schistosoma mansoni	lipoxygenase	0.0019	0.0338	0.0073
Onchocerca volvulus		0.0023	0.0866	0.0546
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0866	0.137
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.1119	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0681	0.0426
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0866	0.137
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0338	0.0338
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0866	0.0546
Mycobacterium leprae	conserved hypothetical protein	0.0024	0.1039	1
Brugia malayi	PHD-finger family protein	0.0024	0.1012	0.0697
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.1119	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.6172	1
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.6379	0.6252
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0023	0.0023
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0338	0.2873
Schistosoma mansoni	hypothetical protein	0.0019	0.0338	0.0073
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.1039	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.6379	0.6379
Schistosoma mansoni	rab6-interacting	0.0019	0.0338	0.0073
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0866	0.137
Brugia malayi	Bromodomain containing protein	0.0037	0.2881	0.2632
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0338	0.0073
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.6172	0.6067
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0023	0.0023
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0024	0.1039	0.1653
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3488	0.3488
Leishmania major	phosphopantetheinyl transferase-like protein	0.0024	0.1039	0.0327
Brugia malayi	RNA binding protein	0.0061	0.6379	0.6252
Echinococcus multilocularis	RUN	0.0019	0.0338	0.0073
Schistosoma mansoni	hypothetical protein	0.002	0.0414	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0086	1	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.5387	0.5261
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0338	0.0073
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0866	0.137
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2891	0.2891
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0023	0.0023
Brugia malayi	hypothetical protein	0.0025	0.1119	0.0808

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 646937