Detailed information for compound 871872

Basic information

Technical information
  • TDR Targets ID: 871872
  • Name: N-[2-(4-chlorophenyl)ethyl]quinoline-8-sulfon amide
  • MW: 346.831 | Formula: C17H15ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CCNS(=O)(=O)c1cccc2c1nccc2
  • InChi: 1S/C17H15ClN2O2S/c18-15-8-6-13(7-9-15)10-12-20-23(21,22)16-5-1-3-14-4-2-11-19-17(14)16/h1-9,11,20H,10,12H2
  • InChiKey: BMBPDYKCIWJVMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-8-quinolinesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1202 0.6171 0.6159
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0513 0.2619 0.0281
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1723 0.8857 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.003 0.0011
Echinococcus multilocularis cpg binding protein 0.0037 0.0163 0.0145
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1202 0.6171 0.6165
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1723 0.8857 0.8856
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0478 0.2439 0.2424
Toxoplasma gondii hypothetical protein 0.0478 0.2439 0.3496
Plasmodium vivax farnesyltransferase beta subunit, putative 0.1202 0.6171 0.5814
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0478 0.2439 0.2439
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0513 0.2619 0.2605
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0689 0.3526 0.1695
Onchocerca volvulus 0.0478 0.2439 1
Schistosoma mansoni cpg binding protein 0.0037 0.0163 0.0163
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.1202 0.6171 0.6165
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.1202 0.6171 0.6165
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1202 0.6171 0.616
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1245 0.6393 0.6388
Toxoplasma gondii hypothetical protein 0.1245 0.6393 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0478 0.2439 0.2424
Leishmania major geranylgeranyltransferase, putative 0.0513 0.2619 0.3782
Trypanosoma cruzi hypothetical protein, conserved 0.0513 0.2619 0.0483
Schistosoma mansoni cpg binding protein 0.0035 0.0153 0.0153
Trypanosoma cruzi protein farnesyltransferase, putative 0.1202 0.6171 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1944 1 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.1202 0.6171 1
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0513 0.2619 0.2619
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1723 0.8857 0.8857
Trypanosoma cruzi lanosterol synthase, putative 0.0607 0.3102 0.1779
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1723 0.8857 0.8854
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0607 0.3102 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0478 0.2439 0.2416
Giardia lamblia Prenyltransferase 0.1202 0.6171 0.5814
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0513 0.2619 0.0483
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1202 0.6171 0.9634
Plasmodium falciparum geranylgeranyltransferase, putative 0.0513 0.2619 0.0281
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0513 0.2619 0.3792
Plasmodium vivax geranylgeranyltransferase, putative 0.0513 0.2619 0.0281
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1723 0.8857 0.8854
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0513 0.2619 0.0238
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1944 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0153 0.0124
Loa Loa (eye worm) hypothetical protein 0.0513 0.2619 0.2597
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0478 0.2439 0.3467
Giardia lamblia Rab geranylgeranyltransferase 0.0513 0.2619 0.0281
Echinococcus granulosus cpg binding protein 0.0037 0.0163 0.0145
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.1202 0.6171 0.6164
Loa Loa (eye worm) hypothetical protein 0.0513 0.2619 0.2597
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1944 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.1202 0.6171 0.4936
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0513 0.2619 0.2608
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1723 0.8857 1
Schistosoma mansoni cpg binding protein 0.0037 0.0163 0.0163
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1723 0.8857 0.8856
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1723 0.8857 0.8855
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1202 0.6171 0.6165
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0513 0.2619 0.0483
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0354 0.0354
Plasmodium falciparum protein farnesyltransferase subunit beta 0.1202 0.6171 0.5814
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1723 0.8857 0.8855
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0478 0.2439 0.2427
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0478 0.2439 0.2417
Trypanosoma brucei lanosterol synthase 0.0607 0.3102 0.1779
Echinococcus granulosus protein farnesyltransferase subunit beta 0.1202 0.6171 0.6164
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0019 0.0019
Trypanosoma cruzi protein farnesyltransferase, putative 0.1202 0.6171 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1944 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0153 0.0125
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1202 0.6171 0.6165
Trypanosoma cruzi hypothetical protein, conserved 0.0513 0.2619 0.0483
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0478 0.2439 0.2424
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0513 0.2619 0.3792
Leishmania major farnesyltransferase beta subunit 0.1202 0.6171 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.003 0.0011
Trypanosoma cruzi lanosterol synthase, putative 0.0607 0.3102 0.1779
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1944 1 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.1202 0.6171 0.6171
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1202 0.6171 0.6165
Loa Loa (eye worm) hypothetical protein 0.1723 0.8857 0.8854
Giardia lamblia Rab geranylgeranyltransferase 0.1723 0.8857 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1723 0.8857 0.8856
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0513 0.2619 0.2608
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0478 0.2439 0.2424
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1944 1 1
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0513 0.2619 0.0281
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1944 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1723 0.8857 0.8489
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0513 0.2619 0.2597

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 56.2341 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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