TDR Targets

Basic information

Technical information

TDR Targets ID: 661187
Name: N-(2,5-dimethylphenyl)-4-methylpiperazine-1-c arbothioamide
MW: 263.402 | Formula: C14H21N3S
H donors: 1 H acceptors: 0 LogP: 2.25 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(=S)Nc1cc(C)ccc1C
InChi: 1S/C14H21N3S/c1-11-4-5-12(2)13(10-11)15-14(18)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChiKey: VWTDJNZLVOLSNQ-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-(2,5-dimethylphenyl)-4-methyl-piperazine-1-carbothioamide
N-(2,5-dimethylphenyl)-4-methyl-1-piperazinecarbothioamide
Oprea1_228543
STK143381

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
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0154	1
Loa Loa (eye worm)	carboxylesterase	0.2743	1	1
Loa Loa (eye worm)	hypothetical protein	0.2743	1	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0154	0.0154
Entamoeba histolytica	hypothetical protein	0.0036	0.0003	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0154	1
Echinococcus multilocularis	neuroligin	0.0464	0.158	0.158
Brugia malayi	Carboxylesterase family protein	0.0464	0.158	0.158
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.0733	0.0733
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0803	0.2833	0.2833
Echinococcus multilocularis	microtubule associated protein 2	0.138	0.4966	0.4966
Brugia malayi	Carboxylesterase family protein	0.0464	0.158	0.158
Mycobacterium ulcerans	carboxylesterase, LipT	0.0464	0.158	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0056	0.0056
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0464	0.158	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0464	0.158	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0056	0.0353
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.0733	0.0733
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0056	0.0353
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0464	0.158	0.158
Brugia malayi	hypothetical protein	0.0234	0.0733	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Loa Loa (eye worm)	carboxylesterase	0.0464	0.158	0.158
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0056	0.3615
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0464	0.158	0.158
Echinococcus multilocularis	para nitrobenzyl esterase	0.0464	0.158	0.158
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2743	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0464	0.158	0.158
Echinococcus multilocularis	carboxylesterase 5A	0.2743	1	1
Onchocerca volvulus		0.0464	0.158	1
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0045	0.0045
Onchocerca volvulus		0.0464	0.158	1
Schistosoma mansoni	microtubule-associated protein tau	0.138	0.4966	0.4966
Entamoeba histolytica	hypothetical protein	0.0036	0.0003	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0464	0.158	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0003	0.5
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0154	0.0154
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0464	0.158	0.158
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0464	0.158	0.158
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0045	0.0045
Onchocerca volvulus		0.0049	0.0049	0.0311
Brugia malayi	Probable ClpP-like protease	0.0077	0.0154	0.0154
Echinococcus granulosus	acetylcholinesterase	0.2743	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0464	0.158	0.158
Echinococcus granulosus	microtubule associated protein 2	0.138	0.4966	0.4966
Brugia malayi	Carboxylesterase family protein	0.2743	1	1
Echinococcus multilocularis	tumor protein p63	0.0335	0.1104	0.1104
Trichomonas vaginalis	spcc417.12 protein, putative	0.0464	0.158	1
Echinococcus multilocularis	acetylcholinesterase	0.2743	1	1
Echinococcus granulosus	neuroligin	0.0464	0.158	0.158
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0154	0.0154
Loa Loa (eye worm)	acetylcholinesterase 1	0.2743	1	1
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0464	0.158	0.158
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Echinococcus granulosus	tumor protein p63	0.0335	0.1104	0.1104
Brugia malayi	Carboxylesterase family protein	0.0464	0.158	0.158
Schistosoma mansoni	gliotactin	0.0464	0.158	0.158
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0464	0.158	0.158
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0049	0.0049
Echinococcus granulosus	acetylcholinesterase	0.2743	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0464	0.158	0.158
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0464	0.158	1
Brugia malayi	hypothetical protein	0.0464	0.158	0.158
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0049	0.0049
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.0709	0.449
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.5
Brugia malayi	hypothetical protein	0.0036	0.0003	0.0003
Echinococcus granulosus	BC026374 protein S09 family	0.0464	0.158	0.158
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Schistosoma mansoni	hypothetical protein	0.0036	0.0003	0.0003
Brugia malayi	Carboxylesterase family protein	0.0464	0.158	0.158
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0733	0.0733
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0154	0.0154
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.0976
Schistosoma mansoni	acetylcholinesterase	0.0464	0.158	0.158
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Leishmania major	hypothetical protein, conserved	0.0036	0	0.5
Echinococcus multilocularis	acetylcholinesterase	0.2743	1	1
Loa Loa (eye worm)	hypothetical protein	0.0464	0.158	0.158
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.2743	1	1
Onchocerca volvulus		0.0464	0.158	1
Echinococcus granulosus	carboxylesterase 5A	0.2743	1	1
Onchocerca volvulus		0.0464	0.158	1
Loa Loa (eye worm)	carboxylesterase	0.0464	0.158	0.158
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.0976
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0003	0.0003
Entamoeba histolytica	hypothetical protein	0.0036	0.0003	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0154	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0154	1
Onchocerca volvulus		0.0464	0.158	1
Onchocerca volvulus		0.0048	0.0045	0.0283
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0003	0.0003
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0056	0.0056
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0154	0.5

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 661187