Detailed information for compound 715275

Basic information

Technical information
  • TDR Targets ID: 715275
  • Name: N-(3-ethoxypropyl)-4-[(4-methylphenyl)sulfany lmethyl]benzamide
  • MW: 343.483 | Formula: C20H25NO2S
  • H donors: 1 H acceptors: 1 LogP: 4.15 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)c1ccc(cc1)CSc1ccc(cc1)C
  • InChi: 1S/C20H25NO2S/c1-3-23-14-4-13-21-20(22)18-9-7-17(8-10-18)15-24-19-11-5-16(2)6-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,21,22)
  • InChiKey: LDSAACXZJNHWCV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethoxypropyl)-4-[[(4-methylphenyl)thio]methyl]benzamide
  • ZINC02880688

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
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0734 0.0666
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0266 0.5
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0105 0.2546 0.2492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.01
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Echinococcus granulosus dna polymerase eta 0.0064 0.1377 0.1314
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0506 0.0408
Brugia malayi kinase, mitochondrial precursor 0.0105 0.2546 0.378
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0506 0.0437
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0263 0.0192
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0094 0.007
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0266 0.0437
Echinococcus multilocularis lamin dm0 0.0027 0.036 0.0289
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0043 0.0785 0.7867
Echinococcus multilocularis snurportin 1 0.0348 0.9413 0.9409
Loa Loa (eye worm) hypothetical protein 0.0163 0.4189 0.4451
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0665 0.0597
Entamoeba histolytica hypothetical protein 0.0041 0.0734 0.44
Loa Loa (eye worm) hypothetical protein 0.0054 0.111 0.1179
Echinococcus multilocularis dna polymerase eta 0.0064 0.1377 0.1314
Toxoplasma gondii hypothetical protein 0.0048 0.0948 1
Entamoeba histolytica Ran family GTPase 0.0024 0.0263 0.0619
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.6736 0.7156
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.1377 0.1519
Loa Loa (eye worm) hypothetical protein 0.0105 0.2546 0.2705
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0665 0.0597
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1431 0.1369
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0266 0.0437
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0266 0.0395
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1431 0.1588
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0266 0.0437
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0665 0.0611
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0773 0.0748
Loa Loa (eye worm) hypothetical protein 0.0064 0.1377 0.1463
Trichomonas vaginalis ran, putative 0.0024 0.0263 0.1609
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0186 0.0233
Brugia malayi Smad1 0.0017 0.0072 0.0107
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0734 0.0708
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.8032 1
Brugia malayi Muscleblind-like protein 0.0163 0.4189 0.622
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.8032 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0186 0.0114
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0348 0.9413 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0773 0.0748
Echinococcus granulosus importin subunit beta 1 0.0033 0.0506 0.0437
Loa Loa (eye worm) hypothetical protein 0.0027 0.0345 0.0367
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0263 0.4099
Trypanosoma brucei unspecified product 0.0026 0.033 0.0184
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0654 0.0586
Onchocerca volvulus 0.0027 0.036 0.1109
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0332 0.0186
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0665 0.3845
Loa Loa (eye worm) hypothetical protein 0.0024 0.0266 0.0283
Brugia malayi hypothetical protein 0.0041 0.0734 0.1089
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.01
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0665 0.0611
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.033 0.0184
Schistosoma mansoni ran 0.0024 0.0263 0.0204
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1431 0.1369
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0734 0.0666
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0263 0.0098
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1431 0.1588
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1431 0.1588
Schistosoma mansoni pyruvate dehydrogenase 0.0099 0.2382 0.2472
Echinococcus multilocularis muscleblind protein 0.0163 0.4189 0.4147
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Brugia malayi MH1 domain containing protein 0.0017 0.0072 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0186 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0105 0.2546 0.2648
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Loa Loa (eye worm) hypothetical protein 0.0024 0.0266 0.0283
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1431 0.1521
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.01
Schistosoma mansoni hypothetical protein 0.0348 0.9413 1
Mycobacterium ulcerans hypothetical protein 0.0158 0.4035 1
Plasmodium falciparum importin beta, putative 0.0033 0.0506 1
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.0121
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0186 0.0114
Giardia lamblia DINP protein human, muc B family 0.0038 0.0665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0266 0.0645
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.4035 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0633 0.057
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0332 0.3048
Echinococcus multilocularis tumor protein p63 0.0369 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0186 0.0276
Schistosoma mansoni lamin 0.0027 0.036 0.0307
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0665 0.1508
Echinococcus granulosus dna polymerase kappa 0.0038 0.0665 0.0597
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Trypanosoma brucei unspecified product 0.0038 0.0665 0.0611
Echinococcus multilocularis musashi 0.0027 0.036 0.0289
Echinococcus granulosus lamin 0.0027 0.036 0.0289
Loa Loa (eye worm) hypothetical protein 0.0033 0.0506 0.0537
Brugia malayi Importin beta-1 subunit 0.0033 0.0506 0.0751
Schistosoma mansoni pyruvate dehydrogenase 0.0099 0.2382 0.2472
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.033 0.0184
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0037 0.062 0.0554
Schistosoma mansoni ran 0.0024 0.0263 0.0204
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0037 0.062 0.5705
Brugia malayi MH2 domain containing protein 0.0017 0.0072 0.0107
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0665 0.1449
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0186 0.2228
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0263 0.4099
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0105 0.2546 0.3008
Brugia malayi MH2 domain containing protein 0.0253 0.6736 1
Trypanosoma brucei unspecified product 0.0026 0.033 0.0184
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0665 0.1508
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0665 0.0634
Leishmania major DNA polymerase eta, putative 0.0037 0.0633 0.057
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1033 0.108
Schistosoma mansoni hypothetical protein 0.0041 0.0734 0.0708
Leishmania major importin beta-1 subunit, putative 0.0026 0.0332 0.0186
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0266 0.0504
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1431 0.1455
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.6736 0.7156
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0266 0.0102
Schistosoma mansoni intermediate filament proteins 0.0027 0.036 0.0307
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.8032 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0266 0.0102
Loa Loa (eye worm) intermediate filament protein 0.0027 0.036 0.0382
Entamoeba histolytica hypothetical protein 0.0026 0.0332 0.1172
Echinococcus granulosus intermediate filament protein 0.0027 0.036 0.0289
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0186 0.0197
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.8032 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0266 0.0283
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0665 0.1449
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0332 0.3048
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0263 0.0098
Onchocerca volvulus 0.0027 0.036 0.1109
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0266 0.0395
Brugia malayi MH2 domain containing protein 0.0017 0.0072 0.0107
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0266 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0266 0.0504
Loa Loa (eye worm) Smad1 0.0017 0.0072 0.0077
Onchocerca volvulus 0.0054 0.111 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0037 0.062 0.0554
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0186 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0665 0.0706
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0665 0.0597
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0263 0.039
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0263 0.0279
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0072 0.0077
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1431 0.1588
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0263 0.0098
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0665 0.0611
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0633 0.5867
Echinococcus granulosus snurportin 1 0.0348 0.9413 0.9409
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0266 0.0395
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0266 0.0645
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0773 0.0748
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0186 0.0301
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0105 0.2546 0.2492
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0506 0.4202
Echinococcus multilocularis muscleblind protein 1 0.0163 0.4189 0.4147
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Echinococcus multilocularis lamin 0.0027 0.036 0.0289
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0186 0.2228
Mycobacterium ulcerans hypothetical protein 0.0024 0.0266 0.0437
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3583 0.433
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0266 0.0645
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0665 0.0634
Leishmania major GTP-binding protein, putative 0.0024 0.0263 0.0098
Echinococcus granulosus muscleblind protein 0.0163 0.4189 0.4147
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Brugia malayi MH1 domain containing protein 0.0017 0.0072 0.0107
Entamoeba histolytica hypothetical protein 0.0041 0.0734 0.44
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.1377 0.1519
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0665 1
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.1377 0.2045
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.036 0.0382
Schistosoma mansoni lamin 0.0027 0.036 0.0307
Schistosoma mansoni DNA polymerase eta 0.0064 0.1377 0.1397
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0506 0.0408
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0263 0.1012
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.01
Trypanosoma brucei developmentally regulated phosphoprotein 0.0105 0.2546 0.3008
Echinococcus granulosus lamin dm0 0.0027 0.036 0.0289
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0105 0.2546 0.2492
Leishmania major DNA polymerase eta, putative 0.0064 0.1377 0.1519
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0266 0.0437
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0665 1
Plasmodium vivax importin-beta 2, putative 0.0033 0.0506 1
Entamoeba histolytica hypothetical protein 0.0041 0.0734 0.44
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0072 0.0077
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.0121
Brugia malayi RNA, U transporter 1 0.0093 0.2203 0.3271
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0266 0.5
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0654 0.0586
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0665 0.0611
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0665 0.0987
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0263 0.1609
Brugia malayi intermediate filament protein 0.0027 0.036 0.0534
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0094 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.033 0.0184
Entamoeba histolytica hypothetical protein 0.0041 0.0734 0.44
Leishmania major developmentally regulated phosphoprotein-like protein 0.0105 0.2546 0.3008
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0263 0.0192
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0266 0.0437
Leishmania major DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Loa Loa (eye worm) hypothetical protein 0.0163 0.4189 0.4451
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.3583 0.433
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.036 0.0534
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0332 0.3048
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1431 0.2125
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0266 0.0437
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0266 0.0437
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.01
Loa Loa (eye worm) hypothetical protein 0.0027 0.036 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0773 0.0748
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3583 0.433
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0037 0.062 0.0554
Schistosoma mansoni importin beta-1 0.0033 0.0506 0.0464
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1431 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0665 0.0611

Activities

No activities found for this compound.

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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