TDR Targets

Basic information

Technical information

TDR Targets ID: 1149444
Name: N-(1-ethylpyridin-1-ium-3-yl)-N'-[4-[(1-ethyl pyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1 ,4-dicarboxamide
MW: 495.572 | Formula: C29H29N5O3++
H donors: 3 H acceptors: 3 LogP: 3.15 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CC[n+]1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)Nc1ccc[n+](c1)CC
InChi: 1S/C29H27N5O3/c1-3-33-17-5-7-25(19-33)31-28(36)22-11-9-21(10-12-22)27(35)30-24-15-13-23(14-16-24)29(37)32-26-8-6-18-34(4-2)20-26/h5-20H,3-4H2,1-2H3,(H-2,30,31,32,35,36,37)/p+2
InChiKey: BXPSNXQKVVQDPO-UHFFFAOYSA-P

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-(1-ethylpyridin-1-ium-3-yl)-N'-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide
N-(1-ethyl-3-pyridin-1-iumyl)-N'-[4-[[(1-ethyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]terephthalamide

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

Ranking Plot

Putative Targets List

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

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

ChEMBL: CHEMBL3306611

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1149444