TDR Targets

Basic information

Technical information

TDR Targets ID: 611713
Name: 3-[[4-(2-methylphenyl)-5-propylsulfanyl-1,2,4 -triazol-3-yl]methyl]-1,3-benzothiazol-2-one
MW: 396.529 | Formula: C20H20N4OS2
H donors: 0 H acceptors: 3 LogP: 4.66 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCSc1nnc(n1c1ccccc1C)Cn1c(=O)sc2c1cccc2
InChi: 1S/C20H20N4OS2/c1-3-12-26-19-22-21-18(24(19)15-9-5-4-8-14(15)2)13-23-16-10-6-7-11-17(16)27-20(23)25/h4-11H,3,12-13H2,1-2H3
InChiKey: SYZPMKWAWXXMIL-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

3-[[4-(2-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
ZINC04062261

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
Echinococcus multilocularis	dna polymerase eta	0.0043	0.0325	0.0325
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0243	0.0663
Schistosoma mansoni	hypothetical protein	0.0033	0.0194	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.073
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0297	0.0819
Onchocerca volvulus		0.0046	0.0366	1
Echinococcus multilocularis	microtubule associated protein 2	0.0687	0.8477	0.8477
Leishmania major	mitochondrial DNA polymerase beta	0.0292	0.3474	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0243	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0243	0.6501
Loa Loa (eye worm)	inositol-1	0.0037	0.0243	0.0815
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0194	0.1055
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0366	0.123
Schistosoma mansoni	hypothetical protein	0.0036	0.0231	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0387	0.1301
Mycobacterium ulcerans	hypothetical protein	0.0154	0.1724	1
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0274	0.3251	0.3835
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0231	0.0231
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0297	0.0819
Brugia malayi	hypothetical protein	0.0036	0.0231	0.0775
Schistosoma mansoni	DNA polymerase eta	0.0043	0.0325	0.0384
Leishmania major	DNA polymerase eta, putative	0.0043	0.0325	0.0901
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0366	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0013	0.0045
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0366	0.2062
Trypanosoma cruzi	DNA polymerase eta, putative	0.003	0.0162	0.043
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0274	0.3251	0.3251
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0366	0.102
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.0366	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1527	0.4373
Echinococcus granulosus	neuropeptide receptor A26	0.046	0.5607	0.6614
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0366	0.123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0387	0.1301
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0243	0.3812
Toxoplasma gondii	hypothetical protein	0.0047	0.0373	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.1724	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0366	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0243	0.0663
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0217	0.1192
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.073
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0243	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.0366	0.2062
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.073
Loa Loa (eye worm)	hypothetical protein	0.0252	0.2976	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0217	0.5
Echinococcus granulosus	dna polymerase eta	0.0043	0.0325	0.0384
Echinococcus granulosus	microtubule associated protein 2	0.0687	0.8477	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0252	0.2976	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0043	0.0325	0.0901
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0366	0.2062
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0366	0.2062
Echinococcus granulosus	neuropeptide s receptor	0.046	0.5607	0.6614
Entamoeba histolytica	hypothetical protein	0.0036	0.0231	0.6159
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.073
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0243	0.0286
Trypanosoma cruzi	DNA polymerase eta, putative	0.0043	0.0325	0.0901
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0387	0.1301
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0387	0.1301
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.3474	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0366	1
Brugia malayi	Inositol-1	0.0037	0.0243	0.0815
Echinococcus multilocularis	neuropeptide s receptor	0.046	0.5607	0.5607
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0193	0.1051
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0411	0.1148
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0231	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0194	0.0652
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0013	0.0016
Schistosoma mansoni	microtubule-associated protein tau	0.0687	0.8477	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0043	0.0325	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0366	0.123
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0325	0.1092
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1527	0.4373
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0013	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0243	0.0663
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.0366	0.2062
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0193	0.1051
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0366	0.123
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0013	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0366	0.123
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0217	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0013	0.0016
Entamoeba histolytica	hypothetical protein	0.0036	0.0231	0.6159
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0297	0.0819
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0193	0.1051
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.0366	0.2062
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.0366	0.2062
Leishmania major	DNA polymerase eta, putative	0.003	0.0162	0.043
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.1527	0.4373
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0193	0.1051
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0243	0.0663
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0243	0.0286
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0297	0.0819
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0243	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0366	0.2062
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0292	0.3474	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0013	0.0013
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0217	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0366	0.123
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0013	0.0016
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0013	0.0016
Entamoeba histolytica	hypothetical protein	0.0036	0.0231	0.6159
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0366	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.0366	0.2062
Echinococcus multilocularis	neuropeptide receptor A26	0.046	0.5607	0.5607
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.3474	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0231	0.6159
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0366	0.102
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0243	0.0243
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0243	0.0286
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0231	0.0272
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0243	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0217	0.1192
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0243	0.1341
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.0366	0.2062
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0366	0.102
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.073
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0194	0.0652

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 611713