TDR Targets

Basic information

Technical information

TDR Targets ID: 1434571
Name: N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo -4-phenylimidazolidin-1-yl)acetamide
MW: 383.398 | Formula: C20H21N3O5
H donors: 2 H acceptors: 3 LogP: 1.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)OC)NC(=O)CN1C(=O)NC(C1=O)(C)c1ccccc1
InChi: 1S/C20H21N3O5/c1-20(13-7-5-4-6-8-13)18(25)23(19(26)22-20)12-17(24)21-15-10-9-14(27-2)11-16(15)28-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,26)
InChiKey: YXCAIHHUJQZLSK-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-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)acetamide
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide
2-(2,5-diketo-4-methyl-4-phenyl-imidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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 leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.0487	0.5056
Onchocerca volvulus	Huntingtin homolog	0.0124	0.143	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0376	0.3519
Brugia malayi	beta-lactamase family protein	0.0043	0.0376	0.0376
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0123
Brugia malayi	intermediate filament protein	0.0027	0.0166	0.0166
Schistosoma mansoni	hypothetical protein	0.0035	0.026	0.0271
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0079	0.0844	1
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0781	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0018	0.0018
Onchocerca volvulus		0.0043	0.0376	0.1941
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	0.0804
Echinococcus multilocularis	lamin	0.0027	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0123
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	1
Schistosoma mansoni	hypothetical protein	0.0172	0.2052	0.2279
Echinococcus multilocularis	lamin dm0	0.0027	0.0166	0.0166
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0376	0.0335
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3436	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	1
Brugia malayi	Probable ClpP-like protease	0.0079	0.0844	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0043
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0166	0.0166
Schistosoma mansoni	microtubule-associated protein tau	0.07	0.8943	1
Schistosoma mansoni	hypothetical protein	0.0172	0.2052	0.2279
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0376	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0043
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0376	0.1016
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.0844	0.069
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0376	0.4162
Brugia malayi	beta-lactamase family protein	0.0043	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0027	0.0165	0.0593
Brugia malayi	beta-lactamase	0.0043	0.0376	0.0376
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0123
Schistosoma mansoni	peptidase Clp (S14 family)	0.0079	0.0844	0.0926
Brugia malayi	hypothetical protein	0.0124	0.143	0.143
Onchocerca volvulus		0.0043	0.0376	0.1941
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.0487	0.1342
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.0487	0.0526
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0123	0.0271
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0166	0.0166
Onchocerca volvulus		0.0027	0.0166	0.033
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0376	0.1016
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.143	0.143
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0367	0.4601	0.4601
Loa Loa (eye worm)	hypothetical protein	0.0035	0.026	0.026
Echinococcus multilocularis	geminin	0.0172	0.2052	0.2279
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0165	0.0123
Leishmania major	macrophage migration inhibitory factor-like protein	0.0781	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0469	0.0469
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0376	0.4162
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0376	0.1016
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0079	0.0844	0.0926
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0376	0.1016
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0376	0.4162
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0123
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0123	0.0991
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.0487	0.0526
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0781	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0043
Plasmodium falciparum	macrophage migration inhibitory factor	0.0781	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0166	0.0166
Onchocerca volvulus		0.0043	0.0376	0.1941
Leishmania major	hypothetical protein, conserved	0.0043	0.0376	0.0257
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0376	0.5
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0781	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.0376
Giardia lamblia	Macrophage migration inhibitory factor	0.0781	1	0.5
Echinococcus granulosus	geminin	0.0172	0.2052	0.2279
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0844	0.0844
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0376	0.1016
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0376	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0991
Toxoplasma gondii	ABC1 family protein	0.0043	0.0376	0.0215
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0333	0.4156	0.4156
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0376	0.1016
Echinococcus multilocularis	serotonin receptor	0.0367	0.4601	0.5135
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0376	0.4162
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0469	0.0469
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0043	0.0038
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0781	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0781	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0123	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0124	0.143	0.143
Echinococcus granulosus	lamin	0.0027	0.0166	0.0166
Echinococcus granulosus	lamin dm0	0.0027	0.0166	0.0166
Echinococcus multilocularis	musashi	0.0027	0.0166	0.0166
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0376	0.1016
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0123
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0165	0.0123
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.0487	0.1342
Echinococcus multilocularis	serotonin receptor	0.0367	0.4601	0.5135
Leishmania major	macrophage migration inhibitory factor-like protein	0.0781	1	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.0844	1
Schistosoma mansoni	lamin	0.0027	0.0166	0.0166
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0991
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0018	0.0018
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0469	0.0469
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0376	0.0402
Echinococcus multilocularis	microtubule associated protein 2	0.07	0.8943	1
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0376	0.1016
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0376	0.1016
Echinococcus granulosus	microtubule associated protein 2	0.07	0.8943	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0123	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0166	0.0166
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0781	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0367	0.4601	0.5135
Schistosoma mansoni	lamin	0.0027	0.0166	0.0166
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0123	0.0991
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.026	0.026
Loa Loa (eye worm)	hypothetical protein	0.0367	0.4601	0.4601
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0376	0.0376
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.0844	0.069
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0376	0.0402
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0079	0.0844	0.0926
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0376	0.1016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0376	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0043
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0376	0.0376
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0123	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0469	0.0469
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0018	0.0018
Echinococcus granulosus	biogenic amine 5HT receptor	0.0367	0.4601	0.5135
Echinococcus granulosus	intermediate filament protein	0.0027	0.0166	0.0166
Onchocerca volvulus	Huntingtin homolog	0.0124	0.143	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0991
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0376	0.3519
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0159	0.0159
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0376	0.0376
Onchocerca volvulus		0.0027	0.0166	0.033
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0333	0.4156	0.4156
Mycobacterium ulcerans	lipase LipD	0.0043	0.0376	0.4162
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0123	0.0991
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0079	0.0844	0.0804
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0376	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 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)	= 10 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)	35.4813 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1582141

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 1434571