Detailed information for compound 19590

Basic information

Technical information
  • TDR Targets ID: 19590
  • Name: N-[3-(1-benzothiophen-2-ylmethoxy)phenyl]etha nesulfonamide
  • MW: 347.452 | Formula: C17H17NO3S2
  • H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)Nc1cccc(c1)OCc1cc2c(s1)cccc2
  • InChi: 1S/C17H17NO3S2/c1-2-23(19,20)18-14-7-5-8-15(11-14)21-12-16-10-13-6-3-4-9-17(13)22-16/h3-11,18H,2,12H2,1H3
  • InChiKey: OMNGVMYUVIFERI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(benzothiophen-2-ylmethoxy)phenyl]ethanesulfonamide
  • N-[3-(2-benzothiophenylmethoxy)phenyl]ethanesulfonamide

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) glutathione reductase 0.0043 0.2288 0.2692
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0573 0.0825
Trypanosoma brucei unspecified product 0.0015 0.0019 0.0081
Trypanosoma brucei unspecified product 0.0022 0.0573 0.2504
Echinococcus granulosus dna polymerase kappa 0.0022 0.0573 0.2454
Schistosoma mansoni eyes absent homolog 0.01 0.6943 0.6943
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0109 0.7665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Schistosoma mansoni DNA polymerase eta 0.0022 0.0573 0.0573
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0019 0.0081
Leishmania major DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Mycobacterium tuberculosis Probable reductase 0.0098 0.6774 0.8837
Treponema pallidum NADH oxidase 0.0015 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Echinococcus multilocularis dna polymerase eta 0.0022 0.0573 0.2454
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Leishmania major trypanothione reductase 0.0043 0.2288 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0098 0.6774 0.8837
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0573 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0573 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0573 0.0573
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0573 0.2504
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0098 0.6774 0.8837
Toxoplasma gondii thioredoxin reductase 0.0043 0.2288 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0109 0.7665 1
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.2288 0.2692
Plasmodium falciparum glutathione reductase 0.0043 0.2288 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0573 1
Echinococcus granulosus dna polymerase eta 0.0022 0.0573 0.2454
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0098 0.6774 0.8837
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0573 0.0748
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.2335 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0573 1
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.2288 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0043 0.2288 1
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.2288 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.2335 1
Leishmania major DNA polymerase eta, putative 0.0022 0.0573 0.2504
Loa Loa (eye worm) hypothetical protein 0.01 0.6943 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0573 0.2504
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0573 0.2504
Mycobacterium tuberculosis Probable dehydrogenase 0.0098 0.6774 0.8837
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0573 0.0748
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0573 0.0825
Brugia malayi Thioredoxin reductase 0.0043 0.2288 0.3295
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0019 0.0081
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.2288 0.2985
Loa Loa (eye worm) hypothetical protein 0.01 0.6943 1
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0573 0.2454
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0573 0.2504
Trypanosoma brucei unspecified product 0.0015 0.0019 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0573 0.0573
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Brugia malayi hypothetical protein 0.01 0.6943 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0573 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0098 0.6774 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0109 0.7665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0019 0.0081
Trypanosoma brucei trypanothione reductase 0.0043 0.2288 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0573 1
Giardia lamblia DINP protein human, muc B family 0.0022 0.0573 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0573 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0573 0.2454
Brugia malayi glutathione reductase 0.0043 0.2288 0.3295
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0573 0.2454
Mycobacterium tuberculosis Probable oxidoreductase 0.0109 0.7665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0573 0.2504
Plasmodium falciparum thioredoxin reductase 0.0043 0.2288 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 4 % Inhibition of ovalbumin-induced bronchoconstriction when compound was administered intraduodenally at a dose of 50 mg/kg in guinea pig ChEMBL. 2498516
Inhibition (functional) = 13 % Inhibition of Leukotriene D4 induced bronchoconstriction when compound was administered intraduodenally at a dose of 25 mg/kg in guinea pig ChEMBL. 2498516
Inhibition (functional) = 13 % Inhibition of Leukotriene D4 induced bronchoconstriction when compound was administered intraduodenally at a dose of 25 mg/kg in guinea pig ChEMBL. 2498516

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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