TDR Targets

Basic information

Technical information

TDR Targets ID: 680286
Name: 1-phenyl-4-(2,3,4-trimethylphenyl)sulfonylpip erazine
MW: 344.471 | Formula: C19H24N2O2S
H donors: 0 H acceptors: 2 LogP: 3.76 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1C)C)S(=O)(=O)N1CCN(CC1)c1ccccc1
InChi: 1S/C19H24N2O2S/c1-15-9-10-19(17(3)16(15)2)24(22,23)21-13-11-20(12-14-21)18-7-5-4-6-8-18/h4-10H,11-14H2,1-3H3
InChiKey: GWOHQBFZGVHHCI-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

1-phenyl-4-(2,3,4-trimethylphenyl)sulfonyl-piperazine
ZINC00309099
Oprea1_441709

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	mevalonate-diphosphate decarboxylase, putative	0.0046	0.1306	0.1142
Onchocerca volvulus		0.0046	0.1306	0.1031
Echinococcus granulosus	diphosphomevalonate decarboxylase	0.0046	0.1306	0.1306
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0188	0.6154	1
Treponema pallidum	hypothetical protein	0.0258	0.8544	1
Brugia malayi	diphosphomevalonate decarboxylase family protein	0.0046	0.1306	0.2049
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.2924	0.2236
Brugia malayi	serine/threonine-protein kinase plk-2	0.0188	0.6154	1
Schistosoma mansoni	serine/threonine protein kinase	0.0188	0.6154	1
Mycobacterium tuberculosis	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0151	0.4879	0.4782
Schistosoma mansoni	mevalonate kinase	0.0108	0.3418	0.5553
Schistosoma mansoni	kinase	0.0096	0.3006	0.4884
Mycobacterium tuberculosis	Probable galactokinase GalK (galactose kinase)	0.0301	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.2606	0.2466
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0061	0.0061
Treponema pallidum	galactokinase	0.0255	0.8446	0.9883
Trypanosoma brucei	galactokinase-like protein, putative	0.0195	0.6376	1
Trichomonas vaginalis	galactokinase, putative	0.0152	0.493	0.7949
Trypanosoma cruzi	mevalonate kinase, putative	0.0108	0.3418	0.3293
Schistosoma mansoni	cpg binding protein	0.0031	0.0806	0.131
Leishmania major	galactokinase-like protein	0.0301	1	1
Leishmania major	phosphomevalonate kinase protein, putative	0.0108	0.3418	0.3293
Trichomonas vaginalis	mevalonate kinase, putative	0.0046	0.1306	0.1877
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1306	0.2044
Giardia lamblia	Mevalonate kinase	0.0108	0.3418	0.5415
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.2606	0.2466
Giardia lamblia	Diphosphomevalonate decarboxylase	0.0046	0.1306	0.1877
Trypanosoma cruzi	polo-like protein kinase, putative	0.0188	0.6154	0.6081
Echinococcus multilocularis	geminin	0.0165	0.5356	0.5356
Echinococcus multilocularis	galactokinase	0.0301	1	1
Trypanosoma cruzi	galactokinase-like protein, putative	0.0255	0.8446	0.8417
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Leishmania major	trypanothione reductase	0.0037	0.1003	0.0833
Schistosoma mansoni	galactokinase	0.0152	0.493	0.8011
Echinococcus multilocularis	cpg binding protein	0.0031	0.0806	0.0806
Brugia malayi	Thioredoxin reductase	0.0037	0.1003	0.1552
Trypanosoma brucei	trypanothione reductase	0.0037	0.1003	0.1321
Trypanosoma brucei	polo-like protein kinase	0.0188	0.6154	0.9642
Mycobacterium tuberculosis	Probable reductase	0.0084	0.2606	0.2466
Trypanosoma cruzi	homoserine kinase	0.0108	0.3418	0.3293
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.2606	0.2466
Loa Loa (eye worm)	glutathione reductase	0.0037	0.1003	0.1547
Mycobacterium ulcerans	mevalonate kinase, Erg12	0.0108	0.3418	0.3293
Plasmodium vivax	glutathione reductase, putative	0.0037	0.1003	0.1742
Trichomonas vaginalis	diphosphomevalonate decarboxylase, putative	0.0046	0.1306	0.1877
Toxoplasma gondii	GHMP kinase, putative	0.0108	0.3418	0.6812
Trypanosoma brucei	homoserine kinase	0.0108	0.3418	0.5221
Mycobacterium tuberculosis	Possible D-alpha-D-heptose-7-phosphate kinase HddA	0.0108	0.3418	0.3293
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0749	0.113
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.0186	0.0212
Schistosoma mansoni	cpg binding protein	0.0029	0.0749	0.1217
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0188	0.6154	0.6081
Trypanosoma brucei	mevalonate-diphosphate decarboxylase	0.0046	0.1306	0.181
Trypanosoma brucei	phosphomevalonate kinase protein, putative	0.0108	0.3418	0.5221
Trichomonas vaginalis	galactokinase, putative	0.0062	0.1864	0.2811
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.102	0.102
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.1306	0.1877
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.0186	0.0186
Echinococcus granulosus	cpg binding protein	0.0031	0.0806	0.0806
Plasmodium falciparum	thioredoxin reductase	0.0037	0.1003	0.1742
Trichomonas vaginalis	galactokinase, putative	0.0152	0.493	0.7949
Schistosoma mansoni	diphosphomevalonate decarboxylase	0.0046	0.1306	0.2122
Echinococcus granulosus	geminin	0.0165	0.5356	0.5356
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.1003	0.1547
Brugia malayi	glutathione reductase	0.0037	0.1003	0.1552
Mycobacterium ulcerans	galactokinase	0.0301	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0806	0.131
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0188	0.6154	1
Brugia malayi	galactokinase family protein	0.0152	0.493	0.7992
Toxoplasma gondii	thioredoxin reductase	0.0037	0.1003	0.1723
Trypanosoma cruzi	mevalonate-diphosphate decarboxylase, putative	0.0046	0.1306	0.1142
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.0186	0.0186
Chlamydia trachomatis	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0196	0.6433	1
Mycobacterium ulcerans	diphosphomevalonate decarboxylase	0.0046	0.1306	0.1142
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0009	0.0071	0.0023
Loa Loa (eye worm)	galactokinase	0.0152	0.493	0.7991
Leishmania major	homoserine kinase, putative	0.0108	0.3418	0.3293
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.2924	0.279
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1641	0.3066
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0188	0.6154	0.6081
Entamoeba histolytica	galactokinase, putative	0.0301	1	1
Mycobacterium ulcerans	phosphomevalonate kinase	0.0108	0.3418	0.3293
Plasmodium vivax	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0151	0.4879	1
Trypanosoma cruzi	fucose kinase, putative	0.0062	0.1864	0.171
Trypanosoma cruzi	galactokinase, putative	0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.3418	0.5509
Trypanosoma cruzi	galactokinase, putative	0.0255	0.8446	0.8417
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0749	0.1135
Trypanosoma cruzi	phosphomevalonate kinase protein, putative	0.0046	0.1306	0.1142
Trichomonas vaginalis	CAMK family protein kinase	0.0188	0.6154	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.2606	0.1796
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.1003	0.1742
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2921	0.4584
Mycobacterium leprae	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0258	0.8544	1
Brugia malayi	mevalonate kinase family protein	0.0108	0.3418	0.5512
Schistosoma mansoni	hypothetical protein	0.0165	0.5356	0.8703
Echinococcus multilocularis	Mevalonate galactokinase	0.0108	0.3418	0.3418
Giardia lamblia	Kinase, PLK	0.0188	0.6154	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0188	0.6154	0.6154
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.1003	0.0833
Trichomonas vaginalis	galactokinase, putative	0.0152	0.493	0.7949
Mycobacterium ulcerans	hypothetical protein	0.0113	0.3584	0.3463
Plasmodium falciparum	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0151	0.4879	1
Plasmodium falciparum	glutathione reductase	0.0037	0.1003	0.1742
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0188	0.6154	0.6154
Mycobacterium tuberculosis	Probable homoserine kinase ThrB	0.0046	0.1306	0.1142
Wolbachia endosymbiont of Brugia malayi	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0258	0.8544	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0061	0.0061
Echinococcus granulosus	N acetylgalactosamine kinase	0.0152	0.493	0.493
Trypanosoma brucei	mevalonate kinase, putative	0.0108	0.3418	0.5221
Trypanosoma brucei	mevalonate diphosphate decarboxylase	0.0046	0.1306	0.181
Toxoplasma gondii	GHMP kinase, N-terminal domain-containing protein	0.0152	0.493	1
Leishmania major	mevalonate kinase, putative	0.0108	0.3418	0.3293
Leishmania major	fucose kinase, putative	0.0046	0.1306	0.1142
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.2606	0.2466
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.2924	0.279
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1866	0.3033
Mycobacterium ulcerans	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0258	0.8544	0.8517
Trypanosoma cruzi	galactokinase, putative	0.0301	1	1
Trichomonas vaginalis	galactokinase, putative	0.0152	0.493	0.7949
Schistosoma mansoni	hypothetical protein	0.0165	0.5356	0.8703
Echinococcus multilocularis	diphosphomevalonate decarboxylase	0.0046	0.1306	0.1306
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2921	0.4584
Echinococcus multilocularis	N acetylgalactosamine kinase	0.0152	0.493	0.493
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0009	0.0071	0.0023
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.1003	0.0833
Echinococcus granulosus	Mevalonate galactokinase	0.0108	0.3418	0.3418
Mycobacterium ulcerans	homoserine kinase	0.0108	0.3418	0.3293
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.2606	0.2466
Leishmania major	fucose kinase, putative	0.0046	0.1306	0.1142
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.2924	0.279
Leishmania major	mevalonate-diphosphate decarboxylase, putative	0.0046	0.1306	0.1142
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.0186	0.0302
Trichomonas vaginalis	galactokinase, putative	0.0046	0.1306	0.1877
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.102	0.102
Trypanosoma cruzi	fucose kinase, putative	0.0062	0.1864	0.171
Trypanosoma cruzi	homoserine kinase	0.0108	0.3418	0.3293
Trypanosoma cruzi	phosphomevalonate kinase protein, putative	0.0046	0.1306	0.1142

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 680286