TDR Targets

Basic information

Technical information

TDR Targets ID: 1368136
Name: ethyl 2-(4-methoxyphenyl)-3-(4-methylphenyl)s ulfonylimidazolidine-1-carboxylate
MW: 404.48 | Formula: C20H24N2O5S
H donors: 0 H acceptors: 3 LogP: 3.07 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCN(C1c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C
InChi: 1S/C20H24N2O5S/c1-4-27-20(23)21-13-14-22(19(21)16-7-9-17(26-3)10-8-16)28(24,25)18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3
InChiKey: SIJVQXJNIUPMQA-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 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-imidazolidine-1-carboxylate
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-imidazolidinecarboxylic acid ethyl ester
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-imidazolidine-1-carboxylic acid ethyl ester
MLS000110503
SMR000106432
Oprea1_750137

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011

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	carbonic anhydrase	0.0085	0.0801	0.0801
Schistosoma mansoni	kinase	0.0049	0.0268	0.0268
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0801	0.0801
Mycobacterium tuberculosis	Probable dehydrogenase	0.0203	0.2564	0.2872
Leishmania major	trypanothione reductase	0.0089	0.0866	0.3896
Schistosoma mansoni	hypothetical protein	0.0042	0.0159	0.0159
Brugia malayi	Thioredoxin reductase	0.0089	0.0866	0.2313
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0203	0.2564	0.2872
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.076	0.1577
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.018	0.2223	1
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0631	0.8928	1
Toxoplasma gondii	thioredoxin reductase	0.0089	0.0866	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.018	0.2223	1
Plasmodium falciparum	glutathione reductase	0.0089	0.0866	0.097
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0631	0.8928	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0203	0.2564	0.718
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0501	0.0501
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0501	0.0501
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.0972	0.2135
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.3744	1
Onchocerca volvulus		0.0241	0.3131	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0801	0.0801
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.3971	1
Leishmania major	carbonic anhydrase-like protein	0.018	0.2223	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.0972	0.4375
Loa Loa (eye worm)	thioredoxin reductase	0.0089	0.0866	0.1126
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0159	0.0159
Giardia lamblia	Fructose-bisphosphate aldolase	0.0298	0.3971	1
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0801	0.0801
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0226	0.2901	1
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.076	0.1577
Treponema pallidum	fructose-bisphosphate aldolase	0.0298	0.3971	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.0972	0.0972
Schistosoma mansoni	hypothetical protein	0.0173	0.2109	0.2109
Brugia malayi	Pre-SET motif family protein	0.0212	0.2695	0.7199
Echinococcus multilocularis	neuropeptide s receptor	0.056	0.7876	0.7876
Brugia malayi	RNA binding protein	0.0065	0.0501	0.1338
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0801	0.2138
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.018	0.2223	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Loa Loa (eye worm)	carbonic anhydrase 3	0.018	0.2223	0.5309
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0631	0.8928	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.0972	0.4375
Giardia lamblia	Kinase, PLK	0.0096	0.0972	0.2449
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0631	0.8928	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0501	0.0501
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.0972	0.4375
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0226	0.2901	0.3249
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0972	0.0972
Mycobacterium tuberculosis	Probable reductase	0.0203	0.2564	0.2872
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0801	0.0801
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.018	0.2223	0.2223
Echinococcus granulosus	neuropeptide s receptor	0.056	0.7876	0.7876
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0501	0.0501
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.3744	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0801	0.2138
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Echinococcus multilocularis	thioredoxin glutathione reductase	0.009	0.0873	0.0873
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0089	0.0866	0.097
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.025	0.0628
Plasmodium falciparum	thioredoxin reductase	0.0089	0.0866	0.097
Echinococcus granulosus	carbonic anhydrase II	0.018	0.2223	0.2223
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0203	0.2564	0.2872
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0501	0.0501
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Echinococcus multilocularis	carbonic anhydrase II	0.018	0.2223	0.2223
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0801	0.0801
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0801	0.0924
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0501	0.1338
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.0972	0.1454
Plasmodium vivax	glutathione reductase, putative	0.0089	0.0866	0.097
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0203	0.2564	0.2872
Brugia malayi	glutathione reductase	0.0089	0.0866	0.2313
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0631	0.8928	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0801	0.0801
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0501	0.0501
Echinococcus multilocularis	geminin	0.0173	0.2109	0.2109
Echinococcus multilocularis	microtubule associated protein 2	0.0703	1	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0801	0.2138
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.076	0.1577
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0631	0.8928	1
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.076	0.1577
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.018	0.2223	0.5937
Trypanosoma cruzi	trypanothione reductase, putative	0.0089	0.0866	0.3896
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0501	0.0501
Brugia malayi	hypothetical protein	0.0042	0.0159	0.0423
Plasmodium vivax	thioredoxin reductase, putative	0.0089	0.0866	0.097
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0145	0.1705	0.191
Schistosoma mansoni	microtubule-associated protein tau	0.0703	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0801	0.2138
Trypanosoma brucei	trypanothione reductase	0.0089	0.0866	0.3896
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0085	0.0801	0.0924
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0801	0.0924
Schistosoma mansoni	hypothetical protein	0.0173	0.2109	0.2109
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Trichomonas vaginalis	set domain proteins, putative	0.0241	0.3131	0.7885
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0203	0.2564	0.2872
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0801	0.2138
Echinococcus multilocularis	neuropeptide receptor A26	0.056	0.7876	0.7876
Brugia malayi	TAR-binding protein	0.0065	0.0501	0.1338
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.018	0.2223	0.2223
Plasmodium falciparum	carbonic anhydrase	0.0085	0.0801	0.0897
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Schistosoma mansoni	hypothetical protein	0.0085	0.0801	0.0801
Mycobacterium tuberculosis	Probable oxidoreductase	0.0226	0.2901	0.3249
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.3971	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0972	0.2449
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0631	0.8928	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.025	0.0628
Trypanosoma brucei	polo-like protein kinase	0.0096	0.0972	0.4375
Echinococcus granulosus	geminin	0.0173	0.2109	0.2109
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.3971	1
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0801	0.0801
Echinococcus granulosus	thioredoxin glutathione reductase	0.009	0.0873	0.0873
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0801	0.0801
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.0972	0.2597
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0159	0.0159
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.0972	0.0972
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2695	0.6766
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0145	0.1705	0.191
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0226	0.2901	0.3249
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0801	0.0924
Toxoplasma gondii	hypothetical protein	0.0085	0.0801	0.9245
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0631	0.8928	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.018	0.2223	0.5309
Entamoeba histolytica	fatty acid elongase, putative	0.0082	0.076	0.1577
Schistosoma mansoni	carbonic anhydrase	0.0085	0.0801	0.0801
Echinococcus granulosus	neuropeptide receptor A26	0.056	0.7876	0.7876
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.018	0.2223	0.5937
Loa Loa (eye worm)	glutathione reductase	0.0089	0.0866	0.1126

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1651 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	25.929 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)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1491130

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1368136