TDR Targets

Basic information

Technical information

TDR Targets ID: 824536
Name: N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphen yl)-2,5-dioxoimidazolidin-4-yl]acetamide
MW: 333.382 | Formula: C17H23N3O4
H donors: 1 H acceptors: 3 LogP: 0.74 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCCN1C(CC(=O)NCC)C(=O)N(C1=O)c1ccc(cc1)C
InChi: 1S/C17H23N3O4/c1-4-18-15(21)11-14-16(22)20(13-7-5-12(2)6-8-13)17(23)19(14)9-10-24-3/h5-8,14H,4,9-11H2,1-3H3,(H,18,21)
InChiKey: AICLWEZNBWIVQH-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-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]acetamide
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxo-4-imidazolidinyl]acetamide
2-[2,5-diketo-3-(2-methoxyethyl)-1-(4-methylphenyl)imidazolidin-4-yl]-N-ethyl-acetamide
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]ethanamide
C636-2442
NCGC00110792-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	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
Mycobacterium ulcerans	DNA topoisomerase I	0.0028	0.0406	0.0414
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0063	0.1125	0.2393
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0012	0.0087	0.0072
Leishmania major	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Onchocerca volvulus		0.0035	0.0552	0.1137
Chlamydia trachomatis	DNA topoisomerase I	0.0028	0.0406	0.0414
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0063	0.1125	0.2393
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.009	0.1692	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1125	0.6527
Schistosoma mansoni	DNA topoisomerase II	0.009	0.1692	0.1679
Entamoeba histolytica	DNA topoisomerase II, putative	0.009	0.1692	1
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0028	0.0406	0.0414
Loa Loa (eye worm)	endoplasmin	0.0012	0.0087	0.0172
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0028	0.0406	0.2396
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0012	0.0087	0.0516
Echinococcus granulosus	cpg binding protein	0.0037	0.0593	0.0578
Brugia malayi	Probable DNA topoisomerase II	0.009	0.1692	1
Brugia malayi	GRF zinc finger family protein	0.0028	0.0406	0.2135
Plasmodium falciparum	DNA gyrase subunit B	0.0386	0.7772	1
Echinococcus granulosus	heat shock protein	0.0012	0.0087	0.0072
Toxoplasma gondii	DNA topoisomerase 2, putative	0.009	0.1692	0.3701
Onchocerca volvulus		0.006	0.1067	0.5141
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0223	0.4424	1
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0028	0.0406	0.2396
Giardia lamblia	DNA topoisomerase III	0.0028	0.0406	0.2347
Loa Loa (eye worm)	DNA topoisomerase III	0.0028	0.0406	0.2121
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0012	0.0087	0.0072
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1125	0.2393
Entamoeba histolytica	DNA topoisomerase III, putative	0.0028	0.0406	0.1983
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0012	0.0087	0.0516
Plasmodium vivax	DNA gyrase subunit B, putative	0.0386	0.7772	1
Leishmania major	DNA topoisomerase 1A	0.0028	0.0406	0.0734
Leishmania major	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Trichomonas vaginalis	sensor histidine kinase, putative	0.0012	0.0087	0.0516
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0044
Trichomonas vaginalis	endoplasmin, putative	0.0012	0.0087	0.0516
Chlamydia trachomatis	DNA gyrase subunit B	0.0253	0.504	0.6446
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0028	0.0406	0.0734
Giardia lamblia	DNA topoisomerase II	0.0078	0.1443	1
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0028	0.0406	0.0391
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0012	0.0087	0.0516
Plasmodium vivax	DNA topoisomerase II, putative	0.009	0.1692	0.2089
Brugia malayi	DNA topoisomerase III beta-1	0.0028	0.0406	0.2135
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0028	0.0406	0.0414
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0044
Loa Loa (eye worm)	TOPoisomerase family member	0.009	0.1692	1
Echinococcus multilocularis	heat shock protein 90	0.0012	0.0087	0.0072
Trypanosoma brucei	DNA topoisomerase ii	0.0223	0.4424	1
Brugia malayi	Endoplasmin precursor	0.0012	0.0087	0.0189
Plasmodium vivax	DNA topoisomerase 3, putative	0.0028	0.0406	0.0414
Leishmania major	DNA topoisomerase ii	0.0063	0.1125	0.2393
Echinococcus granulosus	heat shock protein 90	0.0012	0.0087	0.0072
Entamoeba histolytica	DNA topoisomerase III, putative	0.0028	0.0406	0.1983
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0028	0.0406	0.0734
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0012	0.0087	0.0516
Trichomonas vaginalis	heat shock protein, putative	0.0012	0.0087	0.0516
Plasmodium falciparum	DNA topoisomerase 2	0.009	0.1692	0.2089
Loa Loa (eye worm)	heat shock protein 90	0.0012	0.0087	0.0172
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0028	0.0406	0.0734
Giardia lamblia	DNA topoisomerase III	0.0028	0.0406	0.2347
Trypanosoma brucei	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Trypanosoma brucei	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.009	0.1692	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1352	0.1338
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Trichomonas vaginalis	DNA topoisomerase II, putative	0.009	0.1692	1
Echinococcus multilocularis	tumor protein p63	0.0408	0.8233	0.823
Trichomonas vaginalis	receptor histidine kinase, putative	0.0012	0.0087	0.0516
Loa Loa (eye worm)	hypothetical protein	0.006	0.1067	0.6172
Toxoplasma gondii	DNA topoisomerase family protein	0.0028	0.0406	0.0734
Mycobacterium ulcerans	DNA gyrase subunit B	0.0386	0.7772	1
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0028	0.0406	0.0391
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.119	0.2543
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.1067	0.1053
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0028	0.0406	0.0391
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1125	0.2393
Echinococcus multilocularis	rho GTPase activating protein 20	0.0028	0.0406	0.0391
Brugia malayi	kinase, mitochondrial precursor	0.0012	0.0087	0.0189
Schistosoma mansoni	heat shock protein	0.0012	0.0087	0.0072
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0386	0.7772	1
Leishmania major	mitochondrial DNA topoisomerase II	0.0223	0.4424	1
Trichomonas vaginalis	receptor histidine kinase, putative	0.0012	0.0087	0.0516
Echinococcus multilocularis	cpg binding protein	0.0037	0.0593	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0087	0.0172
Schistosoma mansoni	endoplasmin	0.0012	0.0087	0.0072
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0223	0.4424	1
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.009	0.1692	1
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Treponema pallidum	DNA topoisomerase I (topA)	0.0028	0.0406	0.0414
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0386	0.7772	1
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0028	0.0406	0.2121
Echinococcus granulosus	tumor protein p63	0.0408	0.8233	0.823
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0012	0.0087	0.0516
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0028	0.0406	0.0391
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0028	0.0406	0.0734
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.009	0.1692	1
Trichomonas vaginalis	heat shock protein, putative	0.0012	0.0087	0.0516
Schistosoma mansoni	cpg binding protein	0.0037	0.0593	0.0578
Schistosoma mansoni	cpg binding protein	0.0035	0.0552	0.0537
Brugia malayi	DNA topoisomerase III	0.0028	0.0406	0.2135
Schistosoma mansoni	heat shock protein	0.0012	0.0087	0.0072
Schistosoma mansoni	endoplasmin	0.0012	0.0087	0.0072
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0552	0.3029
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0223	0.4424	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0386	0.7772	1
Echinococcus multilocularis	heat shock protein	0.0012	0.0087	0.0072
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.009	0.1692	0.1679
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0012	0.0087	0.0072
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0552	0.3017
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0386	0.7772	1
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.009	0.1692	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0133	0.257	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0012	0.0087	0.0072
Brugia malayi	heat shock protein 90	0.0012	0.0087	0.0189
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.009	0.1692	1
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0028	0.0406	0.0391
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0406	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1125	0.6527
Schistosoma mansoni	cpg binding protein	0.0037	0.0593	0.0578
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0028	0.0406	0.1282

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1456598
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 824536