TDR Targets

Basic information

Technical information

TDR Targets ID: 884375
Name: ethyl 4-[(4-iodophenyl)carbamoyl]piperazine-1 -carboxylate
MW: 403.215 | Formula: C14H18IN3O3
H donors: 1 H acceptors: 2 LogP: 1.8 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)I
InChi: 1S/C14H18IN3O3/c1-2-21-14(20)18-9-7-17(8-10-18)13(19)16-12-5-3-11(15)4-6-12/h3-6H,2,7-10H2,1H3,(H,16,19)
InChiKey: BHWLKLZMZHSJNH-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

4-[[(4-iodophenyl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
4-[(4-iodophenyl)carbamoyl]piperazine-1-carboxylic acid ethyl ester
Oprea1_023099

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	hepatocyte nuclear factor 4 alpha	0.015	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0079	0.4938	0.4525
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0071	0.4331	0.4017
Echinococcus granulosus	nuclear receptor nhr 48	0.0071	0.4331	0.3869
Echinococcus multilocularis	thyroid hormone receptor alpha	0.015	1	1
Echinococcus granulosus	FTZ F1 alpha	0.015	1	1
Schistosoma mansoni	plexin	0.0018	0.0524	0.0524
Brugia malayi	conserved hypotetical protein	0.0071	0.4331	0.4017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.015	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.015	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.015	1	1
Schistosoma mansoni	coup transcription factor	0.015	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0071	0.4331	0.3869
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.015	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0071	0.4331	0.4017
Brugia malayi	nuclear receptor RXR	0.0071	0.4331	0.4017
Loa Loa (eye worm)	nuclear hormone receptor	0.0071	0.4331	0.4331
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.015	1	1
Brugia malayi	hypothetical protein	0.0079	0.4938	0.4658
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0071	0.4331	0.4017
Loa Loa (eye worm)	plexin A	0.0021	0.0754	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Brugia malayi	nuclear hormone receptor	0.015	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4938	0.4938
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0079	0.4938	0.4938
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.015	1	1
Onchocerca volvulus		0.0071	0.4331	0.4017
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0071	0.4331	0.3869
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4938	0.4938
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.015	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0079	0.4938	0.4525
Schistosoma mansoni	nuclear hormone receptor	0.015	1	1
Schistosoma mansoni	nuclear receptor	0.0071	0.4331	0.4331
Schistosoma mansoni	zinc finger protein	0.0071	0.4331	0.4331
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0071	0.4331	0.4331
Schistosoma mansoni	RAR-like nuclear receptor	0.015	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.015	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0079	0.4938	0.4938
Brugia malayi	ecdysone receptor	0.0071	0.4331	0.4017
Echinococcus granulosus	thyroid hormone receptor alpha	0.0071	0.4331	0.3869
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.015	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.015	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.4938	0.4658
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0071	0.4331	0.3869
Brugia malayi	Nuclear hormone receptor E75	0.0071	0.4331	0.4017
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.015	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0071	0.4331	0.3869
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.015	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.015	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.015	1	1
Brugia malayi	nuclear receptor NHR-67	0.0071	0.4331	0.4017
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.015	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0071	0.4331	0.4331
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.015	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.015	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0079	0.4938	0.4938
Schistosoma mansoni	nuclear hormone receptor	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0071	0.4331	0.3869
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.015	1	1
Brugia malayi	hypothetical protein	0.0071	0.4331	0.4017
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Brugia malayi	steroid hormone receptor	0.015	1	1
Brugia malayi	tailless protein	0.0071	0.4331	0.4017
Echinococcus multilocularis	nuclear receptor nhr 48	0.0071	0.4331	0.3869
Brugia malayi	nuclear receptor NHR-88	0.0071	0.4331	0.4017
Schistosoma mansoni	thyroid hormone receptor	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Brugia malayi	orphan nuclear receptor NR2E1	0.0071	0.4331	0.4017
Onchocerca volvulus		0.0071	0.4331	0.4017
Brugia malayi	Nuclear hormone receptor E75	0.0071	0.4331	0.4017
Echinococcus multilocularis	ecdysone induced protein 78C	0.015	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4938	0.4938
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Onchocerca volvulus	Protein ultraspiracle homolog	0.015	1	1
Brugia malayi	hypothetical protein	0.0071	0.4331	0.4017
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.015	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.015	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.015	1	1
Brugia malayi	nuclear hormone receptor	0.0071	0.4331	0.4017
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0071	0.4331	0.4331
Schistosoma mansoni	nuclear hormone receptor	0.0071	0.4331	0.4331
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.015	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0071	0.4331	0.3869
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.015	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0071	0.4331	0.4017
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.4938	0.4658
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.015	1	1
Brugia malayi	plexin A	0.0021	0.0754	0.0243
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0071	0.4331	0.3869
Loa Loa (eye worm)	DR-78	0.0071	0.4331	0.4331
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0071	0.4331	0.4331
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.015	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.015	1	1
Onchocerca volvulus		0.015	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.015	1	1
Brugia malayi	nuclear receptor NHR-88	0.015	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0071	0.4331	0.4017
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.015	1	1
Brugia malayi	nuclear receptor RXR	0.0079	0.4938	0.4658
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0071	0.4331	0.3869
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0071	0.4331	0.3869
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Schistosoma mansoni	thyroid hormone receptor	0.015	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.015	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.015	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.015	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4938	0.4938
Loa Loa (eye worm)	hypothetical protein	0.0071	0.4331	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4938	0.4938
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0524	0.0524
Brugia malayi	hypothetical protein	0.0079	0.4938	0.4658
Schistosoma mansoni	nuclear receptor	0.0071	0.4331	0.4331

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 884375