Detailed information for compound 71498

Basic information

Technical information
  • TDR Targets ID: 71498
  • Name: 4-butan-2-yl-N-(3,4-dichlorophenyl)benzenesul fonamide
  • MW: 358.283 | Formula: C16H17Cl2NO2S
  • H donors: 1 H acceptors: 2 LogP: 5.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl)C
  • InChi: 1S/C16H17Cl2NO2S/c1-3-11(2)12-4-7-14(8-5-12)22(20,21)19-13-6-9-15(17)16(18)10-13/h4-11,19H,3H2,1-2H3
  • InChiKey: BEWFEAZQVVASGK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dichlorophenyl)-4-sec-butyl-benzenesulfonamide
  • N-(3,4-dichlorophenyl)-4-sec-butylbenzenesulfonamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.0262 0.1373 0.1373
Trypanosoma brucei beta lactamase 0.0077 0.0006 0.0006
Plasmodium falciparum DNA polymerase zeta catalytic subunit, putative 0.021 0.0989 0.0989
Toxoplasma gondii DNA polymerase 0.1433 1 1
Toxoplasma gondii DNA polymerase family B protein 0.021 0.0989 0.0989
Loa Loa (eye worm) hypothetical protein 0.0262 0.1373 0.1373
Brugia malayi DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Toxoplasma gondii DNA polymerase family B protein 0.0473 0.2924 0.2924
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.0647 0.0647
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0262 0.1373 0.0426
Echinococcus granulosus DNA polymerase zeta 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
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.1433 1 1
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
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 delta catalytic subunit, putative 0.1433 1 1
Loa Loa (eye worm) hypothetical protein 0.0315 0.1763 0.1763
Schistosoma mansoni single-minded 0.0094 0.0132 0.0132
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Giardia lamblia DNA polymerase delta, catalytic subunit 0.1433 1 1
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0473 0.2924 0.2924
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.021 0.0989 0.0989
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0473 0.2924 0.2924
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0473 0.2924 0.2924
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0473 0.2924 0.2924
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0473 0.2924 0.2924
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
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.0006 0.5
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.1433 1 1
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0473 0.2924 0.2924
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.1433 1 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0473 0.2924 0.2147
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1486 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.1433 1 1
Brugia malayi hypothetical protein 0.0315 0.1763 0.1763
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0262 0.1373 0.1373
Leishmania major DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0473 0.2924 0.2924
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 PAS domain containing protein 0.0094 0.0132 0.0132
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
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0262 0.1373 0.1373
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
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
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0347 0.1998 0.1998
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0347 0.1998 0.1998
Loa Loa (eye worm) hypothetical protein 0.021 0.0989 0.0989
Loa Loa (eye worm) hypoxia-induced factor 1 0.0291 0.1583 0.1583
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
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.0647 0.0647
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0473 0.2924 0.2924
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0347 0.1998 0.1998
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.1433 1 1
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.021 0.0989 0.0989
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
Schistosoma mansoni aryl hydrocarbon receptor 0.0094 0.0132 0.0132
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.0647 0.0647
Trichomonas vaginalis DNA polymerase II, putative 0.0473 0.2924 0.2147
Brugia malayi DNA polymerase family B containing protein 0.0473 0.2924 0.2924
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0473 0.2924 0.2924
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.0006 0.0039
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0473 0.2924 0.2924
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0473 0.2924 0.2147
Schistosoma mansoni P2X receptor subunit 0.0164 0.0647 0.0647
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0473 0.2924 0.2924

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 10 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.

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