TDR Targets

Basic information

Technical information

TDR Targets ID: 1358569
Name: 3-(5-chloro-2-methylphenyl)-1-[(3,4-dimethoxy phenyl)methyl]-2-sulfanylideneimidazolidin-4- one
MW: 390.884 | Formula: C19H19ClN2O3S
H donors: 0 H acceptors: 1 LogP: 3.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)CN1CC(=O)N(C1=S)c1cc(Cl)ccc1C
InChi: 1S/C19H19ClN2O3S/c1-12-4-6-14(20)9-15(12)22-18(23)11-21(19(22)26)10-13-5-7-16(24-2)17(8-13)25-3/h4-9H,10-11H2,1-3H3
InChiKey: ZSEWSMQBEGXYAL-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-(5-chloro-2-methyl-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-imidazolidin-4-one
3-(5-chloro-2-methylphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-4-imidazolidinone
3-(5-chloro-2-methyl-phenyl)-1-(3,4-dimethoxybenzyl)-2-thioxo-imidazolidin-4-one
3-(5-chloro-2-methyl-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-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	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	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 japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	Menin, putative	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
Echinococcus multilocularis	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

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	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0053	0.0375	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Trypanosoma cruzi	ion transport protein, putative	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0053	0.0375	0.0347
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0044	0.0016
Echinococcus multilocularis	potassium channel subfamily K	0.0053	0.0375	0.0347
Leishmania major	hypothetical protein, conserved	0.0053	0.0375	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.3779	0.3761
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0053	0.0375	1
Onchocerca volvulus		0.0053	0.0375	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0053	0.0375	0.5
Onchocerca volvulus		0.0053	0.0375	1
Plasmodium falciparum	potassium channel	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Echinococcus granulosus	cpg binding protein	0.0037	0.0245	0.0217
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.0375	1
Schistosoma mansoni	cpg binding protein	0.0035	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	uncoordinated protein 58	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.0375	1
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0053	0.0375	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0053	0.0375	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.3779	0.3761
Echinococcus multilocularis	potassium channel subfamily K 8	0.0053	0.0375	0.0347
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.023	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0053	0.0375	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0053	0.0375	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Leishmania major	hypothetical protein, conserved	0.0053	0.0375	0.5
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0053	0.0375	0.0332
Echinococcus granulosus	potassium channel subfamily K	0.0053	0.0375	0.0347
Echinococcus multilocularis	cpg binding protein	0.0037	0.0245	0.0217
Mycobacterium ulcerans	transmembrane cation transporter	0.0053	0.0375	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0053	0.0375	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Plasmodium vivax	potassium channel, putative	0.0053	0.0375	0.5
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0549	0.4208	0.4182
Echinococcus multilocularis	potassium channel subfamily K 8	0.0053	0.0375	0.0347
Schistosoma mansoni	hypothetical protein	0.1299	1	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.1299	1	1
Echinococcus multilocularis	calcium activated potassium channel variant	0.0053	0.0375	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0443	0.3386	0.3356
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0053	0.0375	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Plasmodium vivax	potassium channel, putative	0.0053	0.0375	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Plasmodium falciparum	potassium channel	0.0053	0.0375	0.5
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0053	0.0375	0.5
Leishmania major	ion transport protein-like protein	0.0053	0.0375	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Onchocerca volvulus		0.0053	0.0375	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0044	0.0016
Echinococcus multilocularis	twik family of potassium channels	0.0053	0.0375	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1916	0.188
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0053	0.0375	0.0332
Leishmania major	calcium/potassium channel (CAKC), putative	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Brugia malayi	hypothetical protein	0.0053	0.0375	1
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0053	0.0375	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0469	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	CXXC zinc finger family protein	0.0035	0.023	0.5622
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Schistosoma mansoni	calcium-activated potassium channel	0.1299	1	1
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0053	0.0375	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0375	0.0375
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0053	0.0375	1
Schistosoma mansoni	calcium-activated potassium channel	0.0802	0.6163	0.6163
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0053	0.0375	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.0375	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0053	0.0375	1
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0053	0.0375	0.5
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0053	0.0375	0.0347
Echinococcus granulosus	twik family of potassium channels	0.0053	0.0375	0.0347
Brugia malayi	hypothetical protein	0.0053	0.0375	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.0375	0.5
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0053	0.0375	0.0347
Schistosoma mansoni	cpg binding protein	0.0037	0.0245	0.0245
Loa Loa (eye worm)	TWK-28 protein	0.0053	0.0375	0.0332
Onchocerca volvulus		0.0053	0.0375	1
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0053	0.0375	0.0347
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Echinococcus granulosus	twik family of potassium channels	0.0053	0.0375	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0053	0.0375	1
Onchocerca volvulus		0.0053	0.0375	1
Echinococcus granulosus	potassium channel subfamily K 8	0.0053	0.0375	0.0347
Echinococcus granulosus	calcium activated potassium channel variant	0.0053	0.0375	0.0347
Trypanosoma cruzi	ion transport protein, putative	0.0053	0.0375	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0053	0.0375	1
Schistosoma mansoni	hypothetical protein	0.0494	0.3779	0.3779
Echinococcus multilocularis	twik family of potassium channels	0.0053	0.0375	0.0347
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.1299	1	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0053	0.0375	1
Schistosoma mansoni	twik family of potassium channels-related	0.0053	0.0375	0.0375
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.0375	1
Onchocerca volvulus		0.0053	0.0375	1
Echinococcus granulosus	potassium channel subfamily K 8	0.0053	0.0375	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Mycobacterium ulcerans	ion transport protein	0.0053	0.0375	0.5
Onchocerca volvulus		0.0053	0.0375	1
Leishmania major	potassium channel subunit-like protein	0.0053	0.0375	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0053	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0375	0.0332
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0053	0.0375	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.053	0.053
Loa Loa (eye worm)	TWK-7 protein	0.0053	0.0375	0.0332
Onchocerca volvulus		0.0053	0.0375	1
Giardia lamblia	Hypothetical protein	0.0053	0.0375	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.3753 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)	= 11.2202 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)	14.1254 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)	20.5878 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)	35.4813 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)	56.2341 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1473866

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 1358569