Detailed information for compound 885802

Basic information

Technical information
  • TDR Targets ID: 885802
  • Name: 4-(3-chloro-4-methylphenyl)sulfonyl-2-methyl- 1-(4-methylphenyl)piperazine
  • MW: 378.916 | Formula: C19H23ClN2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1CCN(CC1C)S(=O)(=O)c1ccc(c(c1)Cl)C
  • InChi: 1S/C19H23ClN2O2S/c1-14-4-7-17(8-5-14)22-11-10-21(13-16(22)3)25(23,24)18-9-6-15(2)19(20)12-18/h4-9,12,16H,10-11,13H2,1-3H3
  • InChiKey: JLTLTELKYPNNNX-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(3-chloro-4-methyl-phenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
  • Oprea1_394830

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
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0072 0.0067
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.004
Trichomonas vaginalis glucose transporter, putative 0.0034 0.006 0.0236
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0058 0.023
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.001 0.0004
Brugia malayi Dihydrofolate reductase 0.3238 0.9506 1
Brugia malayi dihydrofolate reductase family protein 0.3238 0.9506 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0175 0.0476 0.0471
Trichomonas vaginalis glucose transporter, putative 0.0034 0.006 0.0236
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1667 0.4875 0.5117
Trypanosoma cruzi hexose transporter, putative 0.0034 0.006 0.0054
Echinococcus granulosus General substrate transporter 0.0093 0.0235 0.0241
Schistosoma mansoni protein kinase 0.0033 0.0058 0.0056
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.001 0.001
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0058 0.0056
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0032 0.0026
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3405 1 1
Leishmania major protein kinase, putative 0.0033 0.0058 0.0053
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.001 0.0004
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3405 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Schistosoma mansoni protein kinase 0.0033 0.0058 0.0056
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0058 0.0053
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1667 0.4875 0.5125
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0032 0.0026
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.006 0.0236
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0072 0.0067
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3405 1 1
Trypanosoma cruzi hexose transporter, putative 0.0034 0.006 0.0054
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0024 0.0032 0.0034
Trypanosoma brucei glucose transporter 1E 0.0034 0.006 0.0054
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0032 0.0011
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.006 0.0054
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0058 0.0053
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0058 0.0053
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1667 0.4875 0.5125
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0032 0.0028
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0056 0.0222
Brugia malayi hypothetical protein 0.0793 0.2298 0.2413
Plasmodium falciparum protein kinase 6 0.0459 0.1314 0.1309
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.001 0.0004
Echinococcus granulosus dihydrofolate reductase 0.3238 0.9506 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.001 0.0004
Trypanosoma cruzi hexose transporter, putative 0.0034 0.006 0.0054
Schistosoma mansoni hypothetical protein 0.0108 0.028 0.0288
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0059
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.001 0.0004
Plasmodium falciparum proline--tRNA ligase 0.0038 0.0072 0.0067
Schistosoma mansoni glucose transport protein 0.0108 0.028 0.0288
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0058 0.0061
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0052 0.0049
Echinococcus granulosus geminin 0.0178 0.0484 0.0504
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Echinococcus multilocularis transcription factor btf3 0.0037 0.0069 0.0066
Leishmania major glucose transporter, lmgt3 0.0034 0.006 0.0054
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0006 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0069 0.0063
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.001 0.0004
Echinococcus granulosus thymidylate synthase 0.1667 0.4875 0.5125
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.3238 0.9506 1
Loa Loa (eye worm) sugar transporter 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.001 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0069 0.0275
Echinococcus multilocularis General substrate transporter 0.0093 0.0235 0.0241
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0021 0.0016
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0052 0.0049
Onchocerca volvulus 0.1667 0.4875 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0056 0.0054
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0069 0.0063
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0058 0.0056
Echinococcus granulosus transcription factor btf3 0.0037 0.0069 0.0066
Leishmania major glucose transporter, lmgt1 0.0034 0.006 0.0054
Echinococcus multilocularis geminin 0.0178 0.0484 0.0504
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0072 0.0067
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0058 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0069 0.0275
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0032 0.0028
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0056 0.0037
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0021 0.0016
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.001 0.0004
Plasmodium falciparum protein kinase 7 0.0306 0.0862 0.0857
Trichomonas vaginalis sugar transporter, putative 0.0034 0.006 0.0236
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0056 0.6657
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0023 0.0077
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0058 0.0053
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0032 0.0026
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3405 1 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0032 0.0028
Entamoeba histolytica protein kinase, putative 0.0033 0.0058 0.7194
Brugia malayi Sugar transporter family protein 0.0108 0.028 0.0288
Brugia malayi Cam kinase protein 1 0.0033 0.0058 0.0056
Chlamydia trachomatis dihydrofolate reductase 0.3238 0.9506 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Entamoeba histolytica hypothetical protein 0.0037 0.0069 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0058 0.0053
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.006 0.0054
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0058 0.0053
Trypanosoma brucei glucose transporter 2A 0.0034 0.006 0.0054
Leishmania major glucose transporter, lmgt2 0.0034 0.006 0.0054
Schistosoma mansoni glucose transport protein 0.0108 0.028 0.0288
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.001 0.0004
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0058 0.0061
Plasmodium falciparum mitogen-activated protein kinase 2 0.0175 0.0476 0.0471
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0032 0.0028
Plasmodium vivax hexose transporter 0.0108 0.028 0.0274
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0006 0.0006
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0006 0.0006
Echinococcus multilocularis dihydrofolate reductase 0.3238 0.9506 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0056 0.0054
Trichomonas vaginalis sugar transporter, putative 0.0034 0.006 0.0236
Loa Loa (eye worm) sugar transporter 0.0108 0.028 0.0294
Trichomonas vaginalis sugar transporter, putative 0.0034 0.006 0.0236
Schistosoma mansoni dihydrofolate reductase 0.3238 0.9506 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0058 0.0053
Plasmodium vivax CDK-related protein kinase 6, putative 0.0459 0.1314 0.1309
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0032 0.0028
Schistosoma mansoni transcription factor btf3 0.0037 0.0069 0.0066
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Entamoeba histolytica protein kinase, putative 0.0033 0.0058 0.7194
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0793 0.2298 0.2294
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.0072 0.0067
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0793 0.2298 1
Schistosoma mansoni protein kinase 0.0033 0.0058 0.0056
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0069 0.0063
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0032 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.028 0.1195
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0032 0.0028
Leishmania major basic transcription factor 3a, putative 0.0037 0.0069 0.0063
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.006 0.0054
Mycobacterium ulcerans thymidylate synthase 0.1667 0.4875 0.5125
Loa Loa (eye worm) thymidylate synthase 0.1667 0.4875 0.5128
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0058 0.0053
Schistosoma mansoni hypothetical protein 0.0178 0.0484 0.0504
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0032 0.0026
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0058 0.0053
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.001 0.0004
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0056 0.0054
Plasmodium falciparum hexose transporter 0.0108 0.028 0.0274
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0072 0.0067
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0058 0.0053
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0032 0.0028
Schistosoma mansoni hypothetical protein 0.0178 0.0484 0.0504
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.3238 0.9506 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.001 0.0004
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0056 0.0054
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.001 0.0004
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0032 0.0026
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0069 0.0063
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Brugia malayi isocitrate dehydrogenase 0.0017 0.001 0.0004
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0015 0.0009
Loa Loa (eye worm) dihydrofolate reductase 0.3238 0.9506 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0056 0.0054
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.001 0.0004
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0056 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3405 1 1
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0069 0.0063
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0069 0.0072
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0056 0.0054
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0069 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0032 0.0115
Toxoplasma gondii protein kinase, putative 0.0306 0.0862 0.0857
Brugia malayi thymidylate synthase 0.1667 0.4875 0.5125
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0175 0.0476 0.0471
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0069 0.0063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.001 0.0004
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0058 0.0053
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0058 0.0056
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.028 0.0288
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.3238 0.9506 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.006 0.0054
Trypanosoma cruzi hexose transporter 0.0034 0.006 0.0054
Mycobacterium tuberculosis Hypothetical protein 0.0793 0.2298 0.2413
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0058 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0069 0.0275
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0072 0.0067
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0059
Brugia malayi beta-NAC-like protein 0.0037 0.0069 0.0066
Toxoplasma gondii facilitative glucose transporter GT1 0.0108 0.028 0.0274
Schistosoma mansoni glucose transport protein 0.0108 0.028 0.0288
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0058 0.0053
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0058 0.0056
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0108 0.028 0.0288
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0032 0.5182
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.006 0.0236
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.0072 0.0067
Trypanosoma brucei glucose transporter, putative 0.0034 0.006 0.0054
Echinococcus multilocularis thymidylate synthase 0.1667 0.4875 0.5125
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.001 0.0004

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

Bibliographic References

No literature references available for this target.

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