Detailed information for compound 1342692

Basic information

Technical information
  • TDR Targets ID: 1342692
  • Name: 1-(3-chlorophenyl)-4-[2-methoxy-4-(1,2-oxazol -5-yl)phenyl]sulfonylpiperazine
  • MW: 433.909 | Formula: C20H20ClN3O4S
  • H donors: 0 H acceptors: 3 LogP: 3.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1S(=O)(=O)N1CCN(CC1)c1cccc(c1)Cl)c1ccno1
  • InChi: 1S/C20H20ClN3O4S/c1-27-19-13-15(18-7-8-22-28-18)5-6-20(19)29(25,26)24-11-9-23(10-12-24)17-4-2-3-16(21)14-17/h2-8,13-14H,9-12H2,1H3
  • InChiKey: QRZLNMLBSSJJFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-chlorophenyl)-4-(4-isoxazol-5-yl-2-methoxy-phenyl)sulfonyl-piperazine
  • 1-(3-chlorophenyl)-4-[4-(5-isoxazolyl)-2-methoxyphenyl]sulfonylpiperazine
  • 1-(3-chlorophenyl)-4-[2-methoxy-4-(1,2-oxazol-5-yl)phenyl]sulfonyl-piperazine
  • NCGC00137967-01
  • G939-0923

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trichomonas vaginalis phosphofructokinase, putative 0.0104 0.3189 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.4712 1
Entamoeba histolytica phosphofructokinase, putative 0.0104 0.3189 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0534 0.1132
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2169 0.4604
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Brugia malayi RNA binding protein 0.0076 0.2169 0.4604
Brugia malayi hypothetical protein 0.002 0.0081 0.0172
Echinococcus multilocularis acetylcholinesterase 0.0146 0.4712 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0104 0.3189 0.5
Echinococcus multilocularis musashi 0.0033 0.0556 0.0656
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.1183 0.0741
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2169 0.4604
Echinococcus granulosus acetylcholinesterase 0.0146 0.4712 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0104 0.3189 0.2847
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.029 1 1
Echinococcus granulosus 6 phosphofructokinase 0.0104 0.3189 0.6576
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0559
Loa Loa (eye worm) carboxylesterase 0.0025 0.0264 0.0559
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0855 0.0397
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0394 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0104 0.3189 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.4712 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.029 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0104 0.3189 0.6223
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Echinococcus granulosus carboxylesterase 5A 0.0146 0.4712 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0394 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0556 0.1179
Loa Loa (eye worm) RNA binding protein 0.0076 0.2169 0.4604
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0855 0.0397
Schistosoma mansoni intermediate filament proteins 0.0033 0.0556 0.0656
Onchocerca volvulus 0.0033 0.0556 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2169 0.4284
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0556 0.1179
Loa Loa (eye worm) phosphofructokinase 0.0104 0.3189 0.6767
Entamoeba histolytica phosphofructokinase, putative 0.0104 0.3189 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2169 0.4284
Onchocerca volvulus 0.0033 0.0556 1
Leishmania major ATP-dependent phosphofructokinase 0.0104 0.3189 0.2847
Brugia malayi Carboxylesterase family protein 0.0146 0.4712 1
Loa Loa (eye worm) carboxylesterase 0.0146 0.4712 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0137 0.4395 0.4114
Echinococcus granulosus tar DNA binding protein 0.0076 0.2169 0.4284
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0137 0.4395 0.4114
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0477 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0855 0.0397
Loa Loa (eye worm) hypothetical protein 0.003 0.0477 0.1013
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0477 0.1227
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0559
Echinococcus granulosus lamin dm0 0.0033 0.0556 0.0656
Echinococcus multilocularis lamin dm0 0.0033 0.0556 0.0656
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0477 1
Schistosoma mansoni 6-phosphofructokinase 0.0104 0.3189 0.6576
Loa Loa (eye worm) hypothetical protein 0.0146 0.4712 1
Entamoeba histolytica phosphofructokinase, putative 0.0104 0.3189 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0146 0.4712 1
Brugia malayi MH2 domain containing protein 0.0114 0.3565 0.7567
Toxoplasma gondii hypothetical protein 0.0047 0.1075 1
Schistosoma mansoni lamin 0.0033 0.0556 0.0656
Echinococcus multilocularis lamin 0.0033 0.0556 0.0656
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2169 0.4284
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0477 1
Echinococcus multilocularis 6 phosphofructokinase 0.0104 0.3189 0.6576
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Mycobacterium ulcerans 6-phosphofructokinase 0.0104 0.3189 0.6223
Schistosoma mansoni lamin 0.0033 0.0556 0.0656
Echinococcus granulosus lamin 0.0033 0.0556 0.0656
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2169 0.4284
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2169 0.4284
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0559
Loa Loa (eye worm) hypothetical protein 0.0033 0.0556 0.1179
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0137 0.4395 0.4114
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Echinococcus granulosus intermediate filament protein 0.0033 0.0556 0.0656
Brugia malayi Carboxylesterase family protein 0.0146 0.4712 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Loa Loa (eye worm) carboxylesterase 0.0025 0.0264 0.0559
Trypanosoma brucei mitochondrial DNA polymerase beta 0.029 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0104 0.3189 0.6767
Brugia malayi phosphofructokinase 0.0104 0.3189 0.6767
Trichomonas vaginalis phosphofructokinase, putative 0.0104 0.3189 1
Mycobacterium ulcerans hypothetical protein 0.0153 0.4964 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0104 0.3189 0.2847
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0394 0.0445
Echinococcus multilocularis acetylcholinesterase 0.0146 0.4712 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Brugia malayi hypothetical protein 0.003 0.0477 0.1013
Loa Loa (eye worm) MH2 domain-containing protein 0.0114 0.3565 0.7567
Schistosoma mansoni 6-phosphofructokinase 0.0104 0.3189 0.6576
Brugia malayi 6-phosphofructokinase 0.0104 0.3189 0.6767
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0559
Echinococcus granulosus acetylcholinesterase 0.0146 0.4712 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2169 0.4284
Brugia malayi hypothetical protein 0.0025 0.0264 0.0559
Loa Loa (eye worm) 6-phosphofructokinase 0.0104 0.3189 0.6767
Brugia malayi 6-phosphofructokinase 0.0104 0.3189 0.6767
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0855 0.0397
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2169 0.4604
Brugia malayi intermediate filament protein 0.0033 0.0556 0.1179
Loa Loa (eye worm) transcription factor SMAD2 0.0114 0.3565 0.7567
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0559
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0394 0.5
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0394 0.0445
Brugia malayi TAR-binding protein 0.0076 0.2169 0.4604
Echinococcus multilocularis carboxylesterase 5A 0.0146 0.4712 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0104 0.3189 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0153 0.4964 1
Trichomonas vaginalis phosphofructokinase, putative 0.0104 0.3189 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0556 0.1179

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

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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