Detailed information for compound 549571

Basic information

Technical information
  • TDR Targets ID: 549571
  • Name: N1,N4-bis[4-[(1-ethylpyridin-1-ium-3-yl)carba moyl]phenyl]terephthalamide
  • MW: 614.693 | Formula: C36H34N6O4++
  • H donors: 4 H acceptors: 4 LogP: 3.99 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[n+]1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc[n+](c1)CC
  • InChi: 1S/C36H32N6O4/c1-3-41-21-5-7-31(23-41)39-35(45)27-13-17-29(18-14-27)37-33(43)25-9-11-26(12-10-25)34(44)38-30-19-15-28(16-20-30)36(46)40-32-8-6-22-42(4-2)24-32/h5-24H,3-4H2,1-2H3,(H2-2,37,38,39,40,43,44,45,46)/p+2
  • InChiKey: GZSNFNKIKQAWLD-UHFFFAOYSA-P  


Substructure search Similarity search

Network

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Synonyms

  • N1,N4-bis[4-[[(1-ethyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]terephthalamide
  • N1,N4-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
  • N,N'-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide
  • 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
  • NSC 101327
  • N,N'-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
  • N,N'-bis[4-[[(1-ethyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]terephthalamide
  • 3,3'-(1,4-Phenylenebis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-ethylpyridinium)
  • Pyridinium, 3,3'-(1,4-phenylenebis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-ethyl-
  • SN 5754

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 multilocularis geminin 0.0173 0.4377 0.4377
Schistosoma mansoni ap endonuclease 0.0023 0.0373 0.0373
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0049 0.0049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0286 0.7409 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0946 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0382 1 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.019 0.4828 0.6516
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Schistosoma mansoni ran 0.0026 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Brugia malayi beta-lactamase family protein 0.0045 0.0946 0.3695
Mycobacterium tuberculosis Conserved protein 0.0045 0.0946 0.1277
Trichomonas vaginalis D-aminoacylase, putative 0.0045 0.0946 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0045 0.0946 0.0946
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0454 0.1668
Echinococcus multilocularis snurportin 1 0.0382 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0454 0.0454
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.019 0.4828 1
Mycobacterium ulcerans lipase LipD 0.0045 0.0946 0.196
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0045 0.0946 0.1277
Onchocerca volvulus 0.0045 0.0946 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0373 0.0774
Echinococcus granulosus geminin 0.0173 0.4377 0.4377
Trichomonas vaginalis esterase, putative 0.0045 0.0946 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0049 0.0049
Echinococcus granulosus beta LACTamase domain containing family member 0.0045 0.0946 0.0946
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0946 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0454 0.0454
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0049 0.0049
Mycobacterium tuberculosis Probable lipase LipE 0.0045 0.0946 0.1277
Leishmania major importin beta-1 subunit, putative 0.0029 0.0526 0.266
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0049 0.0049
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0049 0.0049
Trichomonas vaginalis penicillin-binding protein, putative 0.0045 0.0946 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0946 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0454 0.1404
Loa Loa (eye worm) hypothetical protein 0.0036 0.0707 0.0662
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0049 0.0049
Mycobacterium ulcerans beta-lactamase 0.0045 0.0946 0.196
Trypanosoma brucei importin beta-1 subunit, putative 0.0036 0.0707 0.5831
Echinococcus multilocularis beta LACTamase domain containing family member 0.0045 0.0946 0.0946
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.019 0.4828 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0049 0.0049
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0382 1 1
Mycobacterium ulcerans hypothetical protein 0.0045 0.0946 0.196
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.0946 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Toxoplasma gondii ABC1 family protein 0.0045 0.0946 1
Echinococcus granulosus importin subunit beta 1 0.0036 0.0707 0.0707
Leishmania major hypothetical protein, conserved 0.0045 0.0946 1
Echinococcus multilocularis importin subunit beta 1 0.0036 0.0707 0.0707
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0045 0.0946 0.0902
Mycobacterium tuberculosis Conserved protein 0.0045 0.0946 0.1277
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0045 0.0946 0.1277
Onchocerca volvulus 0.0045 0.0946 1
Plasmodium falciparum importin beta, putative 0.0036 0.0707 1
Onchocerca volvulus 0.0045 0.0946 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0029 0.0526 0.5557
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0454 0.1404
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0049 0.0049
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0454 0.1404
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Loa Loa (eye worm) beta-lactamase 0.0045 0.0946 0.0902
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0049 0.0049
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0373 0.0774
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0049 0.0049
Schistosoma mansoni importin beta-1 0.0036 0.0707 0.0707
Entamoeba histolytica hypothetical protein 0.0029 0.0526 1
Schistosoma mansoni coup transcription factor 0.0011 0.0049 0.0049
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0049 0.0049
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0072 0.1678 1
Mycobacterium tuberculosis Probable lipase LipD 0.0045 0.0946 0.1277
Brugia malayi latrophilin 2 splice variant baaae 0.0018 0.0225 0.0728
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0045 0.0946 0.0946
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0373 0.0504
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0045 0.0946 0.196
Brugia malayi Importin beta-1 subunit 0.0036 0.0707 0.2712
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0049 0.0049
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0049 0.0049
Trypanosoma brucei importin beta-1 subunit, putative 0.0036 0.0707 0.5831
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0373 0.2225
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0049 0.0049
Trichomonas vaginalis importin beta-1, putative 0.0029 0.0526 0.5557
Loa Loa (eye worm) hypothetical protein 0.0026 0.0447 0.04
Mycobacterium leprae Probable lipase LipE 0.0045 0.0946 0.196
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0454 0.1404
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0373 0.0326
Leishmania major GTP-binding protein, putative 0.0026 0.0454 0.1404
Mycobacterium tuberculosis Conserved protein 0.0045 0.0946 0.1277
Toxoplasma gondii HEAT repeat-containing protein 0.0036 0.0707 0.5831
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0049 0.0049
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0373 0.0373
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0049 0.0049
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0026 0.0447 0.1639
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0045 0.0946 0.1277
Brugia malayi beta-lactamase family protein 0.0045 0.0946 0.3695
Plasmodium vivax importin-beta 2, putative 0.0036 0.0707 0.5831
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.019 0.4828 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0373 0.1337
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0454 0.0407
Mycobacterium ulcerans esterase/lipase LipP 0.0045 0.0946 0.196
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0049 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0045 0.0946 1
Brugia malayi RNA, U transporter 1 0.0102 0.2478 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0049 0.0049
Mycobacterium tuberculosis Probable esterase LipL 0.0045 0.0946 0.1277
Entamoeba histolytica Ran family GTPase 0.0026 0.0454 0.5279
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0454 0.2408
Schistosoma mansoni hypothetical protein 0.0018 0.0225 0.0225
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0373 0.3947
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0049 0.0049
Mycobacterium tuberculosis Probable hydrolase 0.0045 0.0946 0.1277
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0049 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0045 0.0946 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0029 0.0526 0.266
Mycobacterium leprae conserved hypothetical protein 0.0045 0.0946 0.196
Brugia malayi Calcitonin receptor-like protein seb-1 0.0026 0.0447 0.1639
Loa Loa (eye worm) hypothetical protein 0.0018 0.0225 0.0178
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0049 0.0049
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0373 0.3947
Schistosoma mansoni hypothetical protein 0.0173 0.4377 0.4377
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0049 0.0049
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0029 0.0526 0.5557
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0045 0.0946 0.3695
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0049 0.0049
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0373 0.0373
Schistosoma mansoni ran 0.0026 0.0454 0.0454
Schistosoma mansoni hypothetical protein 0.0173 0.4377 0.4377
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0026 0.0447 0.04
Trichomonas vaginalis ran, putative 0.0026 0.0454 0.4797
Brugia malayi beta-lactamase 0.0045 0.0946 0.3695
Loa Loa (eye worm) hypothetical protein 0.0045 0.0946 0.0902
Schistosoma mansoni ap endonuclease 0.0023 0.0373 0.0373
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0049 0.0049
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0454 0.1404
Trichomonas vaginalis penicillin-binding protein, putative 0.0045 0.0946 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0072 0.1678 0.5
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0454 1

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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