Detailed information for compound 72923

Basic information

Technical information
  • TDR Targets ID: 72923
  • Name: N-(3,4-dichlorophenyl)-4-propylbenzenesulfona mide
  • MW: 344.256 | Formula: C15H15Cl2NO2S
  • H donors: 1 H acceptors: 2 LogP: 5.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C15H15Cl2NO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-12-6-9-14(16)15(17)10-12/h4-10,18H,2-3H2,1H3
  • InChiKey: ZVEGGOJQIYSQMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dichlorophenyl)-4-propyl-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi trypanothione reductase, putative Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast trypanothione reductase, putative 492 aa 548 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0473 0.2924 0.2924
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.062 1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0262 0.1373 0.1373
Brugia malayi hypothetical protein 0.0315 0.1763 0.1763
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.1433 1 1
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0262 0.1373 0.1373
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0473 0.2924 0.2924
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Brugia malayi PAS domain containing protein 0.0094 0.0132 0.0132
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0347 0.1998 0.1998
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0473 0.2924 0.2147
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0473 0.2924 0.2924
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0473 0.2924 0.2147
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.021 0.0989 0.0989
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0347 0.1998 0.1998
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0473 0.2924 0.2924
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0347 0.1998 0.1998
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0347 0.1998 0.1998
Loa Loa (eye worm) hypoxia-induced factor 1 0.0291 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.021 0.0989 0.0989
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.016 0.062 0.4172
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0347 0.1998 0.1998
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.0647 0.0647
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.1433 1 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0473 0.2924 0.2147
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0473 0.2924 0.2924
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.0006 0.0039
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0473 0.2924 0.2924
Brugia malayi DNA polymerase family B containing protein 0.0473 0.2924 0.2924
Trichomonas vaginalis DNA polymerase II, putative 0.0473 0.2924 0.2147
Schistosoma mansoni aryl hydrocarbon receptor 0.0094 0.0132 0.0132
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.0647 0.0647
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Loa Loa (eye worm) hypothetical protein 0.021 0.0989 0.0989
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0473 0.2924 0.2924
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0473 0.2924 0.2924
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0262 0.1373 0.0426
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.0647 0.0647
Brugia malayi DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Loa Loa (eye worm) hypothetical protein 0.0262 0.1373 0.1373
Toxoplasma gondii DNA polymerase family B protein 0.0473 0.2924 0.2924
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Plasmodium falciparum DNA polymerase zeta catalytic subunit, putative 0.021 0.0989 0.0989
Toxoplasma gondii DNA polymerase family B protein 0.021 0.0989 0.0989
Toxoplasma gondii DNA polymerase 0.1433 1 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.1373 0.1373
Trypanosoma brucei beta lactamase 0.0077 0.0006 0.0006
Schistosoma mansoni single-minded 0.0094 0.0132 0.0132
Giardia lamblia DNA polymerase delta, catalytic subunit 0.1433 1 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Loa Loa (eye worm) hypothetical protein 0.0315 0.1763 0.1763
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.1433 1 1
Trypanosoma cruzi DNA polymerase zeta catalytic subunit, putative 0.021 0.0989 0.0989
Plasmodium vivax DNA polymerase alpha, putative 0.0473 0.2924 0.2924
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.021 0.0989 0.0989
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.1433 1 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0473 0.2924 0.2924
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0473 0.2924 0.2924
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0473 0.2924 0.2924
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.021 0.0989 0.0989
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0473 0.2924 0.2924
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0473 0.2924 0.2924
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0473 0.2924 0.2147
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1486 1
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.1433 1 1
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.1433 1 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.0006 0.5
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Brugia malayi hypoxia-induced factor 1 0.0291 0.1583 0.1583
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.117 0.8065 0.8065
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.1433 1 1
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0473 0.2924 0.2924
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.1433 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) x 0 Activity of the compound at 10 ppm against Lactobacillus plantarum; x=Effective ChEMBL. 6644743
Activity (functional) x 0 Activity of the compound at 10 ppm against Streptococcus faecalis; x=Effective ChEMBL. 6644743
Activity (functional) 0 Bacteriostatic activity of the compound against Staphylococcus aureus ATCC 6538 at 10 ppm concentration; - = Negative ChEMBL. 6644743
Activity (functional) 0 Bactericidal activity of the compound against Staphylococcus aureus ATCC 6538 at 10 ppm concentration; + =Positive ChEMBL. 6644743
MIC (functional) = 1 p.p.m. Minimum inhibitory concentration against staphylococcus aureus ATCC 6538 ChEMBL. 6644743

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.