TDR Targets

Basic information

Technical information

TDR Targets ID: 874934
Name: N-(4-ethoxyphenyl)-2-[1-(3-methylphenyl)-2,5- dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl ]acetamide
MW: 458.509 | Formula: C26H26N4O4
H donors: 1 H acceptors: 4 LogP: 2.85 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)CC1C(=O)N(C(=O)N1Cc1cccnc1)c1cccc(c1)C
InChi: 1S/C26H26N4O4/c1-3-34-22-11-9-20(10-12-22)28-24(31)15-23-25(32)30(21-8-4-6-18(2)14-21)26(33)29(23)17-19-7-5-13-27-16-19/h4-14,16,23H,3,15,17H2,1-2H3,(H,28,31)
InChiKey: CIAGFWCMGGFBQB-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

N-(4-ethoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(3-pyridylmethyl)imidazolidin-4-yl]acetamide
N-(4-ethoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(3-pyridylmethyl)-4-imidazolidinyl]acetamide
2-[2,5-diketo-1-(3-methylphenyl)-3-(3-pyridylmethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
N-(4-ethoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]ethanamide
E750-0799
NCGC00125018-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0079	0.0256
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0079	0.0256
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0079	0.0212
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0079	0.0021
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0079	0.0021
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0038	0.0358	0.3383
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.046	0.5
Onchocerca volvulus		0.0027	0.0058	0.0545
Onchocerca volvulus		0.0027	0.0079	0.0746
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0079	0.0111
Brugia malayi	steroid hormone receptor	0.0027	0.0079	0.0256
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.3031	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0079	0.0256
Echinococcus granulosus	jun protein	0.0083	0.1521	0.1472
Schistosoma mansoni	hypothetical protein	0.0043	0.0498	0.1339
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0058	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0079	0.0256
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0079	0.0021
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0079	0.0212
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0079	0.0256
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0079	0.0021
Echinococcus multilocularis	tumor protein p63	0.0408	1	1
Brugia malayi	nuclear hormone receptor	0.0027	0.0079	0.0256
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.3311	0.8911
Loa Loa (eye worm)	hypothetical protein	0.008	0.1462	0.466
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0079	0.0256
Brugia malayi	intermediate filament protein	0.0027	0.0058	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.2598	0.2555
Schistosoma mansoni	hypothetical protein	0.0067	0.1118	0.3007
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.3311	0.8911
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0079	0.0256
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0079	0.0021
Echinococcus multilocularis	jun protein	0.0083	0.1521	0.1472
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	0.3087	0.3047
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.3031	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0079	0.0256
Onchocerca volvulus		0.0027	0.0058	0.0545
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.2982	0.2942
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Echinococcus multilocularis	geminin	0.0167	0.3716	0.368
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0079	0.0111
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0079	0.0746
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0079	0.0212
Brugia malayi	hypothetical protein	0.0043	0.0498	0.1612
Entamoeba histolytica	hypothetical protein	0.0043	0.0498	0.0199
Brugia malayi	hypothetical protein	0.0065	0.1058	0.3429
Echinococcus granulosus	geminin	0.0167	0.3716	0.368
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0079	0.0256
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.046	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0058	0.0042
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0079	0.0111
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.687	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.687	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0151	0.3311	0.3272
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0083	0.1521	0.1472
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0062	0.0993	0.094
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0083	0.1521	0.1472
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0079	0.0021
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0079	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.046	0.0404
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0079	0.0021
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0041	0.0428	0.1153
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0058	0.0042
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0079	0.0021
Schistosoma mansoni	hypothetical protein	0.0124	0.2598	0.699
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0079	0.0212
Schistosoma mansoni	lamin	0.0027	0.0058	0.0155
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0079	0.0021
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0079	0.0111
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0079	0.0021
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.2598	0.2555
Entamoeba histolytica	hypothetical protein	0.0043	0.0498	0.0199
Schistosoma mansoni	coup transcription factor	0.0027	0.0079	0.0212
Brugia malayi	ecdysteroid receptor	0.0027	0.0079	0.0256
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0079	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Onchocerca volvulus		0.006	0.0922	0.871
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0079	0.0021
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0062	0.0993	0.094
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0369	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0922	0.2481
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.687	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0079	0.0111
Onchocerca volvulus		0.0065	0.1058	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0079	0.0021
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0079	0.0212
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0079	0.0256
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0079	0.0021
Brugia malayi	bZIP transcription factor family protein	0.0083	0.1521	0.4929
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0079	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0058	0.0042
Entamoeba histolytica	hypothetical protein	0.0043	0.0498	0.0199
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.046	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0079	0.0212
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0079	0.0256
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0079	0.0212
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0079	0.0111
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0079	0.0111
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0079	0.0256
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0079	0.0256
Onchocerca volvulus	Matrilysin homolog	0.0038	0.0358	0.3383
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0079	0.0111
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0498	0.1339
Loa Loa (eye worm)	matrixin family protein	0.0038	0.0358	0.1029
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0079	0.0212
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0079	0.0256
Schistosoma mansoni	hypothetical protein	0.0167	0.3716	1
Schistosoma mansoni	lamin	0.0027	0.0058	0.0155
Schistosoma mansoni	hypothetical protein	0.0167	0.3716	1
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0079	0.0021
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0079	0.0021
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0498	0.0442
Loa Loa (eye worm)	acetyltransferase	0.0143	0.3087	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Loa Loa (eye worm)	matrixin family protein	0.0042	0.0448	0.1323
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.687	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0079	0.0021
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0498	0.0442
Brugia malayi	acetyltransferase, GNAT family protein	0.0143	0.3087	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0079	0.0021
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0079	0.0212
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0058	0.0187
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0079	0.0212
Schistosoma mansoni	jun-related protein	0.0067	0.1118	0.3007
Brugia malayi	Matrixin family protein	0.0042	0.0448	0.145
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0079	0.0111
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0079	0.0746
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.687	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.3031	0.5
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	0.3087	0.8306
Entamoeba histolytica	hypothetical protein	0.0043	0.0498	0.0199
Loa Loa (eye worm)	hypothetical protein	0.006	0.0922	0.2883
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0079	0.0256

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0112 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1358508
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 874934