Detailed information for compound 680286

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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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

Obtained from network model

Ranking Plot


Putative Targets List


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

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

Bibliographic References

No literature references available for this target.

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