TDR Targets

Basic information

Technical information

TDR Targets ID: 589315
Name: N1,N4-bis[4-(N,N'-diethyl-N-heptanoyl-carbami midoyl)phenyl]terephthalamide
MW: 736.985 | Formula: C44H60N6O4
H donors: 2 H acceptors: 4 LogP: 8.67 Rotable bonds: 26
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCC(=O)N(C(=NCC)c1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=NCC)N(C(=O)CCCCCC)CC)CC
InChi: 1S/C44H60N6O4/c1-7-13-15-17-19-39(51)49(11-5)41(45-9-3)33-25-29-37(30-26-33)47-43(53)35-21-23-36(24-22-35)44(54)48-38-31-27-34(28-32-38)42(46-10-4)50(12-6)40(52)20-18-16-14-8-2/h21-32H,7-20H2,1-6H3,(H,47,53)(H,48,54)/b45-41-,46-42-
InChiKey: AEJRMWDDCLCDKX-CYSJJLBPSA-N

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

N1,N4-bis[4-[ethylimino-[ethyl(1-oxoheptyl)amino]methyl]phenyl]terephthalamide
N1,N4-bis[4-(N,N'-diethyl-N-heptanoyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide
N,N'-bis[4-(N-enanthyl-N,N'-diethyl-amidino)phenyl]terephthalamide
1-N,4-N-bis[4-(N,N'-diethyl-N-heptanoylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide

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
Echinococcus granulosus	aldo keto reductase	0.0095	0.5855	0.5855
Echinococcus multilocularis	insulin receptor	0.013	1	1
Schistosoma mansoni	kinase	0.0048	0.0272	0.0272
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.5849	0.5849
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.013	1	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.013	1	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.5849	0.5849
Schistosoma mansoni	tyrosine kinase	0.0058	0.143	0.143
Schistosoma mansoni	tyrosine kinase	0.0059	0.1555	0.1555
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.5855	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.5855	0.5
Onchocerca volvulus		0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase	0.0095	0.5855	0.5855
Schistosoma mansoni	tyrosine kinase	0.0059	0.1555	0.1555
Toxoplasma gondii	aldose reductase, putative	0.0095	0.5855	0.5
Echinococcus granulosus	aldo keto reductase	0.0095	0.5855	0.5855
Entamoeba histolytica	aldose reductase, putative	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Echinococcus multilocularis	epidermal growth factor receptor	0.0059	0.1555	0.1555
Onchocerca volvulus		0.0095	0.5855	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Loa Loa (eye worm)	oxidoreductase	0.0095	0.5855	0.5855
Giardia lamblia	Aldose reductase	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Schistosoma mansoni	tyrosine kinase	0.0058	0.143	0.143
Onchocerca volvulus		0.0095	0.5855	1
Schistosoma mansoni	tyrosine kinase	0.0059	0.1555	0.1555
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.5849	0.5849
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Brugia malayi	Protein kinase domain containing protein	0.0072	0.3078	0.3078
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.5855	1
Schistosoma mansoni	pol-related	0.0095	0.5855	0.5855
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Echinococcus granulosus	aldehyde reductase	0.0067	0.2569	0.2569
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2953	0.2953
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus granulosus	aldo keto reductase	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldo keto reductase	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Entamoeba histolytica	aldose reductase, putative	0.0095	0.5855	1
Echinococcus granulosus	insulin receptor	0.013	1	1
Onchocerca volvulus		0.0095	0.5855	1
Schistosoma mansoni	tyrosine kinase	0.013	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0095	0.5855	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.5855	0.5855
Echinococcus granulosus	epidermal growth factor receptor	0.0059	0.1555	0.1555
Giardia lamblia	Aldose reductase	0.0095	0.5855	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0059	0.1555	0.1555
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.5855	0.5855
Leishmania major	aldo-keto reductase-like protein	0.0095	0.5855	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.5855	0.5855
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0059	0.1555	0.1555
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0095	0.5855	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.5855	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0095	0.5855	1
Leishmania major	prostaglandin f synthase, putative	0.0095	0.5855	1
Trypanosoma cruzi	aldo-keto reductase	0.0095	0.5855	1
Onchocerca volvulus		0.0095	0.5855	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.013	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.5855	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.5855	0.5855
Echinococcus granulosus	hypothetical protein	0.0095	0.5855	0.5855
Loa Loa (eye worm)	oxidoreductase	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trypanosoma brucei	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldo keto reductase	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Echinococcus granulosus	epidermal growth factor receptor	0.0059	0.1555	0.1555
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.5855	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.5849	0.5849
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.5849	0.5849
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldo keto reductase	0.0095	0.5855	0.5855
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Schistosoma mansoni	tyrosine kinase	0.0058	0.143	0.143
Loa Loa (eye worm)	oxidoreductase	0.0095	0.5855	0.5855
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldehyde reductase	0.0067	0.2569	0.2569
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.5855	1
Schistosoma mansoni	aldo-keto reductase	0.0095	0.5855	0.5855
Schistosoma mansoni	aldo-keto reductase	0.0095	0.5855	0.5855
Entamoeba histolytica	aldose reductase, putative	0.0095	0.5855	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0059	0.1555	0.1555
Schistosoma mansoni	tyrosine kinase	0.013	1	1
Onchocerca volvulus		0.0095	0.5855	1
Loa Loa (eye worm)	oxidoreductase	0.0095	0.5855	0.5855
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.5855	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.5849	0.9989
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.5855	0.5855
Loa Loa (eye worm)	oxidoreductase	0.0095	0.5855	0.5855
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.5855	0.5855
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.5855	0.5855
Trypanosoma brucei	prostaglandin f synthase	0.0095	0.5855	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0059	0.1555	0.1555
Mycobacterium ulcerans	oxidoreductase	0.0095	0.5855	0.5

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

Search by CAS
PubChem: 261805

Bibliographic References

No literature references available for this target.

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Detailed information for compound 589315