TDR Targets

Basic information

Technical information

TDR Targets ID: 1511212
Name: 1-[(3-chlorophenyl)methyl]imidazolidine-2,4,5 -trione
MW: 238.627 | Formula: C10H7ClN2O3
H donors: 1 H acceptors: 3 LogP: 1.41 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CN1C(=O)NC(=O)C1=O
InChi: 1S/C10H7ClN2O3/c11-7-3-1-2-6(4-7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChiKey: URRVXTBMFKWZPH-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

1-(3-chlorobenzyl)imidazolidine-2,4,5-trione
ZINC04013385
10M-003

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2939	0.2815
Echinococcus granulosus	chromobox protein 1	0.0081	0.222	0.2068
Onchocerca volvulus		0.0035	0.0476	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2275	0.2141
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0183	0.6171	0.6097
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0985	0.081
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0446	0.026
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0446	0.026
Echinococcus granulosus	GPCR family 2	0.0035	0.0446	0.026
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Brugia malayi	hypothetical protein	0.0121	0.3774	0.3653
Brugia malayi	chromobox protein homolog 3	0.0045	0.0853	0.0675
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0099	0.2939	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0183	0.6171	0.4578
Toxoplasma gondii	aminopeptidase N protein	0.0099	0.2939	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.4109	0.4007
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0446	0.026
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0191	0.002
Loa Loa (eye worm)	hypothetical protein	0.0257	0.9013	0.8995
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0853	0.0527
Echinococcus granulosus	chromobox protein 1	0.0081	0.222	0.2068
Onchocerca volvulus		0.0052	0.113	0.0957
Schistosoma mansoni	hypothetical protein	0.0035	0.0446	0.026
Brugia malayi	MH2 domain containing protein	0.013	0.4109	0.3995
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0099	0.2939	0.2801
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0446	0.026
Onchocerca volvulus	Huntingtin homolog	0.0121	0.3774	0.3653
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0446	0.026
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.2275	0.2125
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0255	0.8943	0.8923
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.3334	0.3204
Brugia malayi	hypothetical protein	0.0257	0.9013	0.8993
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.222	0.1942
Schistosoma mansoni	hypothetical protein	0.0035	0.0446	0.026
Schistosoma mansoni	survival motor neuron protein	0.0052	0.113	0.0957
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0985	0.0664
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.3334	0.3218
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0099	0.2939	0.2801
Schistosoma mansoni	hypothetical protein	0.0052	0.113	0.0957
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.2275	0.2125
Brugia malayi	Heterochromatin protein 1	0.0081	0.222	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0109	0.3334	0.3218
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0099	0.2939	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0099	0.2939	0.2801
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.222	0.1942
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2939	0.2815
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2939	0.2815
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0099	0.2939	0.2801
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0476	0.031
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0099	0.2939	0.2801
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1997	0.1858
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Schistosoma mansoni	hypothetical protein	0.0035	0.0446	0.026
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0191	0.002
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Onchocerca volvulus	Glucosylceramidase homolog	0.0167	0.5562	0.5475
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0446	0.028
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.3334	0.3204
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0446	0.028
Brugia malayi	hypothetical protein	0.0099	0.2939	0.2801
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0099	0.2939	0.2815
Onchocerca volvulus		0.0099	0.2939	0.2801
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.2275	0.2125
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.222	0.2084
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.5909	0.5763
Onchocerca volvulus		0.0082	0.2275	0.2125
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6171	0.6104
Echinococcus multilocularis	geminin	0.0196	0.6673	0.6609
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0255	0.8943	0.8925
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.4109	0.4007
Loa Loa (eye worm)	hypothetical protein	0.0121	0.3774	0.3666
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0191	0.002
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Schistosoma mansoni	hypothetical protein	0.0035	0.0446	0.026
Brugia malayi	TATA binding protein associated factor	0.0099	0.2939	0.2801
Trypanosoma brucei	aminopeptidase, putative	0.0099	0.2939	0.2939
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0099	0.2939	0.2801
Echinococcus multilocularis	survival motor neuron protein 1	0.0257	0.9013	0.8993
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Loa Loa (eye worm)	hypothetical protein	0.0121	0.3774	0.3666
Loa Loa (eye worm)	TATA binding protein associated factor	0.0099	0.2939	0.2815
Schistosoma mansoni	hypothetical protein	0.0075	0.1997	0.1841
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0853	0.0675
Brugia malayi	Peptidase family M1 containing protein	0.0099	0.2939	0.2801
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0099	0.2939	0.2687
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0241	0.8398	0.837
Schistosoma mansoni	hypothetical protein	0.0196	0.6673	0.6609
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6171	0.6104
Echinococcus multilocularis	chromobox protein 1	0.0081	0.222	0.2068
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0446	0.026
Onchocerca volvulus	Huntingtin homolog	0.0121	0.3774	0.3653
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0853	0.0527
Mycobacterium ulcerans	aminopeptidase N PepN	0.0099	0.2939	0.2939
Schistosoma mansoni	chromobox protein	0.0081	0.222	0.2068
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0099	0.2939	0.2939
Echinococcus multilocularis	chromobox protein 1	0.0081	0.222	0.2068
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0099	0.2939	1
Toxoplasma gondii	aminopeptidase n, putative	0.0099	0.2939	1
Brugia malayi	follicle stimulating hormone receptor	0.0241	0.8398	0.8367
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0099	0.2939	1
Echinococcus granulosus	survival motor neuron protein 1	0.0257	0.9013	0.8993
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0853	0.0693
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0183	0.6171	0.6097
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0099	0.2939	0.2815
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.8943	0.8905
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6171	0.6104
Toxoplasma gondii	aminopeptidase N, putative	0.0099	0.2939	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.5909	0.5763
Schistosoma mansoni	chromobox protein	0.0081	0.222	0.2068
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.2275	0.2125
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.5562	0.5404
Schistosoma mansoni	hypothetical protein	0.0196	0.6673	0.6609
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0985	0.0664
Echinococcus granulosus	geminin	0.0196	0.6673	0.6609
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.113	0.0957
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0099	0.2939	0.2939
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.1997	0.1841
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0446	0.026
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0099	0.2939	0.2801

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 117 uM	Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometry	ChEMBL.	21324566

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: CHEMBL1762069

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1511212