Detailed information for compound 1345996

Basic information

Technical information
  • TDR Targets ID: 1345996
  • Name: (6-bromo-2-pyridin-3-ylquinolin-4-yl)-(4-meth ylsulfonylpiperazin-1-yl)methanone
  • MW: 475.359 | Formula: C20H19BrN4O3S
  • H donors: 0 H acceptors: 5 LogP: 1.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)N1CCN(CC1)S(=O)(=O)C
  • InChi: 1S/C20H19BrN4O3S/c1-29(27,28)25-9-7-24(8-10-25)20(26)17-12-19(14-3-2-6-22-13-14)23-18-5-4-15(21)11-16(17)18/h2-6,11-13H,7-10H2,1H3
  • InChiKey: YCGSWHKQFMNUHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [6-bromo-2-(3-pyridyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone
  • [6-bromo-2-(3-pyridyl)-4-quinolyl]-(4-methylsulfonyl-1-piperazinyl)methanone
  • [6-bromo-2-(3-pyridyl)-4-quinolyl]-(4-mesylpiperazin-1-yl)methanone
  • (6-bromo-2-pyridin-3-yl-quinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
  • SMR000300553
  • IVK/4002425
  • 6-bromo-4-{[4-(methylsulfonyl)-1-piperazinyl]carbonyl}-2-(3-pyridinyl)quinoline
  • MLS000862517

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) 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
Loa Loa (eye worm) hypothetical protein 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related 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
Echinococcus granulosus lamin dm0 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
Loa Loa (eye worm) hypothetical 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi exodeoxyribonuclease III family protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis musashi 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
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 expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis lamin 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease 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 japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Trichomonas vaginalis ap endonuclease, putative 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
Loa Loa (eye worm) hypothetical 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1232 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3537 0.3537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0375 0.0375
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1232 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3537 0.3537
Echinococcus multilocularis lamin 0.0033 0.3537 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1232 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.1232 0.5
Brugia malayi intermediate filament protein 0.0033 0.3537 0.3537
Schistosoma mansoni lamin 0.0033 0.3537 0.6116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1232 0.271
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1232 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3537 0.3537
Schistosoma mansoni ap endonuclease 0.0023 0.1232 0.1657
Loa Loa (eye worm) hypothetical protein 0.0041 0.5545 0.5545
Schistosoma mansoni ap endonuclease 0.0023 0.1232 0.1657
Schistosoma mansoni lamin 0.0033 0.3537 0.6116
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1232 0.1232
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1232 0.271
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1232 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.3537 0.6116
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1232 0.1232
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0375 0.0375
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1232 0.5
Echinococcus granulosus lamin dm0 0.0033 0.3537 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0375 0.0375
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1232 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.3537 1
Echinococcus multilocularis musashi 0.0033 0.3537 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1232 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.3397 0.3397
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1232 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1232 0.5
Echinococcus granulosus lamin 0.0033 0.3537 1
Onchocerca volvulus 0.0033 0.3537 0.5
Onchocerca volvulus 0.0033 0.3537 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1232 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1232 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1232 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.3537 0.3537
Schistosoma mansoni hypothetical protein 0.0041 0.5545 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0375 0.0375
Echinococcus granulosus intermediate filament protein 0.0033 0.3537 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5545 0.5545
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1232 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.02 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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 BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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 Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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