Detailed information for compound 1427550

Basic information

Technical information
  • TDR Targets ID: 1427550
  • Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfony l-4-pyridin-2-ylpiperazine
  • MW: 405.822 | Formula: C16H15ClF3N3O2S
  • H donors: 0 H acceptors: 3 LogP: 3.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCN(CC1)c1ccccn1
  • InChi: 1S/C16H15ClF3N3O2S/c17-14-5-4-12(11-13(14)16(18,19)20)26(24,25)23-9-7-22(8-10-23)15-3-1-2-6-21-15/h1-6,11H,7-10H2
  • InChiKey: CSHALCZIFCWARH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridyl)piperazine
  • 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-2-yl-piperazine
  • SMR000370223
  • T0516-4554
  • MLS000760116

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
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
Entamoeba histolytica hypothetical protein 0.0043 0.2151 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0546 0.1669
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0543 0.4933
Loa Loa (eye worm) hypothetical protein 0.0033 0.1522 0.1522
Loa Loa (eye worm) hypothetical protein 0.0016 0.0546 0.0546
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0447
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0543 0.166
Echinococcus granulosus lamin dm0 0.0033 0.1522 0.4649
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0543 0.0543
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0543 0.4933
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0543 0.5713
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0951 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Schistosoma mansoni hypothetical protein 0.0043 0.2151 0.6574
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0951 0.0951
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2151 0.6574
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0543 0.0543
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0543 0.166
Schistosoma mansoni ap endonuclease 0.0023 0.0951 0.2906
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0951 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0546 0.1669
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0543 0.166
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0951 1
Echinococcus granulosus intermediate filament protein 0.0033 0.1522 0.4649
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0447
Echinococcus granulosus tar DNA binding protein 0.0063 0.3273 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0146 0.0146
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0543 0.166
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0447
Echinococcus granulosus lamin 0.0033 0.1522 0.4649
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0646 0.0646
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0951 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0951 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Entamoeba histolytica hypothetical protein 0.0043 0.2151 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0146 0.0447
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0951 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0447
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1522 0.1522
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0543 0.166
Brugia malayi isocitrate dehydrogenase 0.0016 0.0543 0.0543
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0447
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3273 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1487 0.1487
Loa Loa (eye worm) hypothetical protein 0.0015 0.0512 0.0512
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0951 0.2906
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0146 0.0447
Onchocerca volvulus 0.0033 0.1522 0.1522
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3273 0.3273
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0543 0.5713
Brugia malayi intermediate filament protein 0.0033 0.1522 0.1522
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0951 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0951 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0146 0.0146
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3273 0.3273
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0951 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0447
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 1 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0146 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0146 0.0447
Brugia malayi hypothetical protein 0.0043 0.2151 0.2151
Onchocerca volvulus 0.0009 0.0146 0.0146
Echinococcus multilocularis lamin 0.0033 0.1522 0.4649
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0951 0.4421
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0951 1
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0447
Toxoplasma gondii exonuclease III APE 0.0023 0.0951 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0146 0.0146
Echinococcus multilocularis musashi 0.0033 0.1522 0.4649
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0447
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0951 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.3273 0.3273
Brugia malayi TAR-binding protein 0.0063 0.3273 0.3273
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Echinococcus multilocularis lamin dm0 0.0033 0.1522 0.4649
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1522 0.1522
Schistosoma mansoni lamin 0.0033 0.1522 0.4649
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2151 0.6574
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0951 0.5
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0146 0.0447
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3273 0.3273
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0951 0.0951
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0543 0.166
Loa Loa (eye worm) hypothetical protein 0.0015 0.0512 0.0512
Schistosoma mansoni ap endonuclease 0.0023 0.0951 0.2906
Entamoeba histolytica hypothetical protein 0.0043 0.2151 1
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0646 0.0646
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0447
Entamoeba histolytica hypothetical protein 0.0043 0.2151 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1522 0.1522
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0447
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0951 0.2906
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2151 0.6574
Schistosoma mansoni intermediate filament proteins 0.0033 0.1522 0.4649
Brugia malayi RNA binding protein 0.0063 0.3273 0.3273
Brugia malayi DIX domain containing protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0951 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0543 0.166
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni dep domain containing protein 0.0009 0.0146 0.0447
Schistosoma mansoni lamin 0.0033 0.1522 0.4649
Onchocerca volvulus 0.0033 0.1522 0.1522

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0501 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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