Detailed information for compound 797752

Basic information

Technical information
  • TDR Targets ID: 797752
  • Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]- N,N-dimethyl-3-nitroaniline
  • MW: 424.902 | Formula: C18H21ClN4O4S
  • H donors: 0 H acceptors: 4 LogP: 3.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])N(C)C
  • InChi: 1S/C18H21ClN4O4S/c1-20(2)15-5-8-17(18(13-15)23(24)25)21-9-11-22(12-10-21)28(26,27)16-6-3-14(19)4-7-16/h3-8,13H,9-12H2,1-2H3
  • InChiKey: OAMAUZUVSNXQFO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-3-nitro-aniline
  • 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethyl-3-nitroaniline
  • [4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-dimethyl-amine
  • Oprea1_721802
  • A3084/0130449

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
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0049 0.0037 0.0036
Schistosoma mansoni sodium/chloride dependent transporter 0.0049 0.0037 0.0037
Toxoplasma gondii hypothetical protein 0.0049 0.0037 0.1226
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.014 0.0152 0.0151
Brugia malayi beta-lactamase 0.0036 0.0021 0.002
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0039 0.0024 0.0023
Plasmodium vivax amine transporter, putative 0.0049 0.0037 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0001 0.0001
Echinococcus multilocularis sodium and chloride dependent glycine 0.0049 0.0037 0.0037
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0001 0.0001
Schistosoma mansoni carbonic anhydrase-related 0.014 0.0152 0.0152
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0049 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Treponema pallidum sodium- and chloride- dependent transporter 0.0289 0.034 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0021 0.002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0051 0.0051
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0049 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0009 0.0008
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0001 0.0001
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.1226
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0021 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0021 0.0021
Brugia malayi hypothetical protein 0.0049 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.0027 0.0009 0.0009
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0051 0.0051
Echinococcus granulosus lamin dm0 0.0027 0.0009 0.0009
Echinococcus granulosus sodium and chloride dependent glycine 0.0049 0.0037 0.0037
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0049 0.0037 0.0037
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0037 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0001 0.0001
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.0036
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0004 0.0004
Onchocerca volvulus 0.0049 0.0037 0.0036
Schistosoma mansoni bromodomain containing protein 0.0064 0.0056 0.0056
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Trypanosoma brucei carbonic anhydrase-like protein 0.0235 0.0272 0.0568
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.014 0.0152 0.0151
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.1226
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0021 0.5
Echinococcus granulosus carbonic anhydrase II 0.0235 0.0272 0.0272
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.0036
Leishmania major C-8 sterol isomerase-like protein 0.3539 0.444 1
Trichomonas vaginalis esterase, putative 0.0036 0.0021 0.5
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.0127 0.0136 0.0136
Onchocerca volvulus 0.0027 0.0009 0.0009
Schistosoma mansoni sodium/chloride dependent transporter 0.0049 0.0037 0.0037
Echinococcus granulosus FTZ F1 alpha 0.002 0.0001 0.0001
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0235 0.0272 0.0271
Echinococcus granulosus carbonic anhydrase 0.014 0.0152 0.0152
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.014 0.0152 0.0151
Echinococcus multilocularis musashi 0.0027 0.0009 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Loa Loa (eye worm) solute carrier family 6 member 4 0.0289 0.034 0.0339
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0021 0.0021
Onchocerca volvulus 0.0036 0.0021 0.002
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Brugia malayi ERG2 and Sigma1 receptor like protein 0.3539 0.444 0.4439
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0049 0.0037 0.0037
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0021 0.002
Brugia malayi beta-lactamase family protein 0.0036 0.0021 0.002
Echinococcus multilocularis vesicular acetylcholine transporter 0.7946 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0136 0.0136
Schistosoma mansoni intermediate filament proteins 0.0027 0.0009 0.0009
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0001 0.0001
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0289 0.034 0.0339
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0049 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Loa Loa (eye worm) beta-lactamase 0.0036 0.0021 0.002
Echinococcus multilocularis lamin 0.0027 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.0036
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0021 0.0021
Echinococcus multilocularis sodium and chloride dependent glycine 0.0049 0.0037 0.0037
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0235 0.0272 0.0568
Schistosoma mansoni sodium-dependent amino acid transporter 0.0049 0.0037 0.0037
Brugia malayi Bromodomain containing protein 0.0039 0.0024 0.0023
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0235 0.0272 0.0272
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0001 0.0001
Echinococcus granulosus lamin 0.0027 0.0009 0.0009
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0136 0.0136
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.1226
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0021 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.014 0.0152 0.0152
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.014 0.0152 0.0151
Echinococcus granulosus serotonin transporter 0.0289 0.034 0.034
Leishmania major carbonic anhydrase-like protein 0.0235 0.0272 0.0568
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.014 0.0152 0.0151
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0001 0.0001
Mycobacterium leprae Probable lipase LipE 0.0036 0.0021 0.5
Schistosoma mansoni lamin 0.0027 0.0009 0.0009
Echinococcus multilocularis serotonin transporter 0.0289 0.034 0.034
Toxoplasma gondii hypothetical protein 0.0049 0.0037 0.1226
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.014 0.0152 0.0151
Schistosoma mansoni carbonic anhydrase-related 0.014 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Brugia malayi Bromodomain containing protein 0.0076 0.0071 0.007
Schistosoma mansoni vesicular acetylcholine transporter 0.7946 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.7946 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0001 0.0001
Onchocerca volvulus 0.0289 0.034 0.0339
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0289 0.034 0.034
Onchocerca volvulus 0.0036 0.0021 0.002
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0235 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.014 0.0152 0.0151
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0001 0.0001
Onchocerca volvulus 0.0036 0.0021 0.002
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0049 0.0037 0.0037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0289 0.034 0.0339
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0161 0.0161
Loa Loa (eye worm) norepinephrine transporter 0.0289 0.034 0.0339
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0009 0.0009
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0161 0.0161
Brugia malayi beta-lactamase family protein 0.0036 0.0021 0.002
Echinococcus multilocularis carbonic anhydrase 0.014 0.0152 0.0152
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0001 0.0001
Schistosoma mansoni carbonic anhydrase-related 0.014 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.014 0.0152 0.0151
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.0036
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0049 0.0037 0.0037
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.3539 0.444 0.4439
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0235 0.0272 0.0271
Echinococcus granulosus carbonic anhydrase 0.014 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.1809 0.2257 0.2256
Toxoplasma gondii hypothetical protein 0.014 0.0152 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0021 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0001 0.0001
Plasmodium falciparum carbonic anhydrase 0.014 0.0152 1
Echinococcus granulosus carbonic anhydrase 0.014 0.0152 0.0152
Echinococcus multilocularis lamin dm0 0.0027 0.0009 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0021 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0001 0.0001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Echinococcus multilocularis carbonic anhydrase 0.014 0.0152 0.0152
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0001 0.0001
Brugia malayi intermediate filament protein 0.0027 0.0009 0.0009
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0235 0.0272 0.0271
Onchocerca volvulus 0.0049 0.0037 0.0036
Onchocerca volvulus 0.0027 0.0009 0.0009
Trypanosoma brucei C-8 sterol isomerase, putative 0.3539 0.444 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0001 0.0001
Schistosoma mansoni carbonic anhydrase 0.014 0.0152 0.0152
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0001 0.0001
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3539 0.444 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0152 0.0151
Mycobacterium ulcerans hypothetical protein 0.0036 0.0021 0.5
Brugia malayi PHD-finger family protein 0.0025 0.0007 0.0006
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0235 0.0272 0.0568
Onchocerca volvulus 0.0049 0.0037 0.0036
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0064
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0001 0.0001
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0021 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.7946 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0235 0.0272 0.0271
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0041 0.0027 0.0026
Echinococcus granulosus intermediate filament protein 0.0027 0.0009 0.0009
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.7946 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0037 0.0036
Schistosoma mansoni coup transcription factor 0.002 0.0001 0.0001
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0001 0.0001
Echinococcus multilocularis carbonic anhydrase 0.014 0.0152 0.0152
Schistosoma mansoni nuclear hormone receptor 0.002 0.0001 0.0001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0001 0.0001
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0049 0.0037 0.0036
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0049 0.0037 0.0037
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0001 0.0001
Mycobacterium ulcerans lipase LipD 0.0036 0.0021 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0289 0.034 0.0339
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0029 0.0029
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0009 0.0009
Loa Loa (eye worm) serotonin transporter b 0.0289 0.034 0.0339
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0049 0.0037 0.0037
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0161 0.0161
Schistosoma mansoni sodium/chloride dependent transporter 0.0289 0.034 0.034
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0021 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0235 0.0272 0.0272
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0001 0.0001
Echinococcus granulosus sodium and chloride dependent glycine 0.0049 0.0037 0.0037
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0001 0.0001
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0289 0.034 0.0339
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0001 0.0001
Schistosoma mansoni lamin 0.0027 0.0009 0.0009

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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