TDR Targets

Basic information

Technical information

TDR Targets ID: 805098
Name: ethyl 6-[5-(carbamimidoylsulfanylmethyl)-2-ox o-1,3-dihydroimidazol-4-yl]-6-oxohexanoate
MW: 328.387 | Formula: C13H20N4O4S
H donors: 3 H acceptors: 4 LogP: 0.5 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CCCCC(=O)c1c(CSC(=N)N)nc([nH]1)O
InChi: 1S/C13H20N4O4S/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11/h2-7H2,1H3,(H3,14,15)(H2,16,17,20)
InChiKey: GKLLFPWLYDCIEU-UHFFFAOYSA-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

ethyl 6-[5-(carbamimidoylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate
6-[5-[(carbamimidoylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester
6-[5-[(amidinothio)methyl]-2-keto-1,3-dihydroimidazol-4-yl]-6-keto-hexanoic acid ethyl ester

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
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1346	0.1346
Echinococcus granulosus	transcription factor btf3	0.0036	0.1003	0.0816
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1328	0.1328
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.1003	0.1003
Brugia malayi	ecdysteroid receptor	0.0021	0.0352	0.0352
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0449	0.025
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0352	0.0388
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.5063	0.496
Schistosoma mansoni	thyroid hormone receptor	0.015	0.5973	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1328	1
Echinococcus multilocularis	protein patched	0.0043	0.1328	0.1148
Trypanosoma brucei	ISWI complex protein	0.0016	0.0125	0.1247
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0352	0.0352
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0203	0.0134
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.268	0.2528
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0363	0.0363
Echinococcus multilocularis	Niemann Pick C1 protein	0.0145	0.5724	0.5635
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0352	0.0352
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0449	0.0553
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0352	0.0151
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0352	0.0151
Echinococcus multilocularis	zinc finger protein	0.002	0.0316	0.0115
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0352	0.0352
Schistosoma mansoni	hypothetical protein	0.0021	0.0363	0.0407
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0352	0.0352
Brugia malayi	beta-NAC-like protein	0.0036	0.1003	0.1003
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0352	0.0388
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.2108	0.1944
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0352	0.0151
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0352	0.0151
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0352	0.0352
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1596	0.1596
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0352	0.0151
Schistosoma mansoni	hypothetical protein	0.0042	0.126	0.1942
Schistosoma mansoni	hypothetical protein	0.0042	0.126	0.1942
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0352	0.0352
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0352	0.0151
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0231	0.0231
Echinococcus granulosus	expressed conserved protein	0.0095	0.3571	0.3438
Echinococcus granulosus	Niemann Pick C1 protein	0.0145	0.5724	0.5635
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1261	0.1261
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0352	0.0151
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.1328	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0203	0.0203
Echinococcus multilocularis	survival motor neuron protein 1	0.0243	1	1
Brugia malayi	Bromodomain containing protein	0.0039	0.1152	0.1152
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0352	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.3906	0.6466
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0352	0.0151
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.1328	0.1148
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.1003	0.5
Echinococcus granulosus	zinc finger protein	0.002	0.0316	0.0115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0352	0.0352
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0352	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0101	0.3838	0.3838
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.268	0.2528
Schistosoma mansoni	hypothetical protein	0.0075	0.268	0.437
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.1328	0.1148
Brugia malayi	steroid hormone receptor	0.0021	0.0352	0.0352
Leishmania major	hypothetical protein, conserved	0.0016	0.0125	0.1247
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.1328	0.1328
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0125	0.1247
Brugia malayi	MH2 domain containing protein	0.0123	0.4772	0.4772
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0352	0.0352
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0352	0.0352
Echinococcus multilocularis	expressed conserved protein	0.0095	0.3571	0.3438
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0352	0.0352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0352	0.0352
Brugia malayi	PHD-finger family protein	0.0026	0.0554	0.0554
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.5063	0.496
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.1003	1
Onchocerca volvulus		0.005	0.1596	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.1046	0.086
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.268	0.437
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0352	0.0352
Plasmodium falciparum	basic transcription factor 3b, putative	0.0036	0.1003	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0352	0.0352
Schistosoma mansoni	bromodomain containing protein	0.0065	0.2267	0.3664
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0352	0.0388
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0352	0.0352
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0203	0.0134
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0352	0.0352
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.1046	0.086
Echinococcus multilocularis	transcription factor btf3	0.0036	0.1003	0.0816
Schistosoma mansoni	transcription factor btf3	0.0036	0.1003	0.1501
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0352	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0352	0.0352
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0352	0.0352
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.3838	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0352	0.0352
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0	0.5
Entamoeba histolytica	hypothetical protein	0.0075	0.268	0.5917
Echinococcus multilocularis	protein dispatched 1	0.005	0.1595	0.142
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0352	0.0352
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0352	0.0388
Schistosoma mansoni	coup transcription factor	0.0021	0.0352	0.0388
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0352	0.0151
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0352	0.0352
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0352	0.0151
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0352	0.0388
Brugia malayi	CHE-14 protein	0.0043	0.1328	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1753	0.1753
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.3838	0.371
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0352	0.0352
Echinococcus granulosus	survival motor neuron protein 1	0.0243	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0352	0.0388
Entamoeba histolytica	hypothetical protein	0.0075	0.268	0.5917
Schistosoma mansoni	hypothetical protein	0.0129	0.5063	0.8444
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0352	0.0352
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0449	0.025
Entamoeba histolytica	hypothetical protein	0.0075	0.268	0.5917
Brugia malayi	Bromodomain containing protein	0.0077	0.2791	0.2791
Schistosoma mansoni	patched 1	0.0043	0.1328	0.2058
Schistosoma mansoni	hypothetical protein	0.0042	0.126	0.1942
Leishmania major	basic transcription factor 3a, putative	0.0036	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Schistosoma mansoni	thyroid hormone receptor	0.015	0.5973	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0352	0.0352
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0203	0.0134
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.4772	0.4772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0352	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0352	0.0388
Brugia malayi	hypothetical protein	0.0075	0.268	0.268
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0203	0.0134
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0352	0.0151
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0352	0.0388
Echinococcus multilocularis	thyroid hormone receptor alpha	0.015	0.5973	0.5889
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.3838	0.3838
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.2108	0.1944
Loa Loa (eye worm)	hypothetical protein	0.0073	0.26	0.26
Schistosoma mansoni	hypothetical protein	0.005	0.1596	0.2515
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0352	0.0151
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.4772	0.4772
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0352	0.0352
Schistosoma mansoni	zinc finger protein	0.002	0.0316	0.0327
Brugia malayi	nuclear hormone receptor	0.0021	0.0352	0.0352
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0352	0.0388
Entamoeba histolytica	hypothetical protein	0.0075	0.268	0.5917
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1155	0.1155
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0352	0.0352
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.3838	0.371
Schistosoma mansoni	survival motor neuron protein	0.005	0.1596	0.2515
Trypanosoma brucei	transcription factor BTF3, putative	0.0036	0.1003	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0352	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0243	1	1
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0125	0.1247
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.1003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0352	0.0352
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0352	0.0388
Schistosoma mansoni	hypothetical protein	0.0042	0.126	0.1942

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 805098