TDR Targets

Basic information

Technical information

TDR Targets ID: 1404591
Name: 3-(2-ethyl-6-methylphenyl)-1-(phenylmethyl)-2 -sulfanylideneimidazolidin-4-one
MW: 324.44 | Formula: C19H20N2OS
H donors: 0 H acceptors: 1 LogP: 4.13 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1cccc(c1N1C(=O)CN(C1=S)Cc1ccccc1)C
InChi: 1S/C19H20N2OS/c1-3-16-11-7-8-14(2)18(16)21-17(22)13-20(19(21)23)12-15-9-5-4-6-10-15/h4-11H,3,12-13H2,1-2H3
InChiKey: UFTFQKUTNNWAIF-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

3-(2-ethyl-6-methyl-phenyl)-1-(phenylmethyl)-2-thioxo-imidazolidin-4-one
3-(2-ethyl-6-methylphenyl)-1-(phenylmethyl)-2-thioxo-4-imidazolidinone
1-(benzyl)-3-(2-ethyl-6-methyl-phenyl)-2-thioxo-imidazolidin-4-one
3-(2-ethyl-6-methyl-phenyl)-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-one

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	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	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
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
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
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Mycobacterium ulcerans	amidase	0.0036	0.0636	0.5
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Loa Loa (eye worm)	amidase	0.0036	0.0636	0.1044
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1403	0.1403
Brugia malayi	Amidase family protein	0.0036	0.0636	0.1044
Mycobacterium ulcerans	amidase	0.0036	0.0636	0.5
Loa Loa (eye worm)	hypothetical protein	0.0299	0.6015	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.074	0.1216
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0036	0.0636	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0036	0.0636	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0608	0.0996
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0036	0.0636	0.5
Schistosoma mansoni	smad	0.001	0.0099	0.0099
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0608	0.0996
Schistosoma mansoni	smad1 5 8 and	0.001	0.0099	0.0099
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1242	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1129	0.1865
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0059	0.5
Brugia malayi	Smad1	0.001	0.0099	0.015
Echinococcus multilocularis	cpg binding protein	0.0037	0.0648	0.0578
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0036	0.0636	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0288	0.0215
Schistosoma mansoni	fatty-acid amide hydrolase	0.0299	0.6015	0.6015
Brugia malayi	MH2 domain containing protein	0.0144	0.2847	0.4725
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0288	0.0215
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0288	0.0464
Onchocerca volvulus		0.0035	0.0608	0.5
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0036	0.0636	0.5
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0036	0.0636	0.0566
Echinococcus multilocularis	smad	0.001	0.0099	0.0025
Schistosoma mansoni	hypothetical protein	0.0019	0.0288	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0288	0.0464
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0299	0.6015	0.5985
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0059	0.5
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2847	0.4725
Mycobacterium ulcerans	peptide amidase, GatA	0.0036	0.0636	0.5
Echinococcus granulosus	cpg binding protein	0.0037	0.0648	0.0578
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0036	0.0636	0.0566
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0036	0.0636	0.5
Schistosoma mansoni	smad1 5 8 and	0.001	0.0099	0.0099
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0019	0.0288	0.0288
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0036	0.0636	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0299	0.6015	0.5985
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0036	0.0636	0.5
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0036	0.0636	0.0636
Brugia malayi	amidase	0.0299	0.6015	1
Mycobacterium ulcerans	amidase	0.0036	0.0636	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1129	0.1865
Loa Loa (eye worm)	Smad1	0.001	0.0099	0.015
Loa Loa (eye worm)	hypothetical protein	0.006	0.1129	0.1865
Echinococcus multilocularis	Smad4	0.001	0.0099	0.0025
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0288	0.0215
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0099	0.0025
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0036	0.0636	0.5
Schistosoma mansoni	Smad4	0.001	0.0099	0.0099
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Loa Loa (eye worm)	amidase	0.0036	0.0636	0.1044
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1129	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0041	0.074	0.1216
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0099	0.0025
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0118	0.018
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Trichomonas vaginalis	helicase, putative	0.0008	0.0059	0.5
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0036	0.0636	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0074	0.0074
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0036	0.0636	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0288	0.0215
Brugia malayi	MH2 domain containing protein	0.001	0.0099	0.015
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0099	0.0025
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0036	0.0636	0.0566
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Brugia malayi	Amidase family protein	0.0036	0.0636	0.1044
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0036	0.0636	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0115	0.0176
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.074	0.074
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0036	0.0636	0.5
Brugia malayi	putative amidase	0.0036	0.0636	0.1044
Schistosoma mansoni	fatty-acid amide hydrolase	0.0036	0.0636	0.0636
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0299	0.6015	0.5985
Brugia malayi	MH2 domain containing protein	0.001	0.0099	0.015
Brugia malayi	MH1 domain containing protein	0.001	0.0099	0.015
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0099	0.015
Echinococcus granulosus	smad	0.001	0.0099	0.0025
Mycobacterium ulcerans	amidase	0.0036	0.0636	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0288	0.0464
Trypanosoma cruzi	amidase, putative	0.0036	0.0636	0.5
Echinococcus granulosus	Smad4	0.001	0.0099	0.0025
Schistosoma mansoni	hypothetical protein	0.0019	0.0288	0.0288
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0099	0.015
Schistosoma mansoni	smad1 5 8 and	0.001	0.0099	0.0099
Echinococcus granulosus	GPCR family 2	0.0019	0.0288	0.0215
Trypanosoma cruzi	amidase, putative	0.0036	0.0636	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0288	0.0464
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0299	0.6015	0.5985
Leishmania major	hypothetical protein, conserved	0.0036	0.0636	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2847	0.4725
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0099	0.0025
Mycobacterium ulcerans	amidase	0.0036	0.0636	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0036	0.0636	0.0566
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0059	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0059	0.5
Schistosoma mansoni	amidase	0.0299	0.6015	0.6015
Brugia malayi	MH1 domain containing protein	0.001	0.0099	0.015
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0036	0.0636	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0288	0.0215
Schistosoma mansoni	hypothetical protein	0.0019	0.0288	0.0288
Schistosoma mansoni	cpg binding protein	0.0035	0.0608	0.0608

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5733 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 for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 14.1254 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)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	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: CHEMBL1563065

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 1404591