TDR Targets

Basic information

Technical information

TDR Targets ID: 1287642
Name: 2-[2,5-dioxo-4-(phenylmethyl)imidazolidin-1-y l]-N-(2-fluorophenyl)acetamide
MW: 341.336 | Formula: C18H16FN3O3
H donors: 2 H acceptors: 3 LogP: 2.13 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1F)CN1C(=O)NC(C1=O)Cc1ccccc1
InChi: 1S/C18H16FN3O3/c19-13-8-4-5-9-14(13)20-16(23)11-22-17(24)15(21-18(22)25)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,23)(H,21,25)
InChiKey: JLWABFIPJFXVIH-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

2-[2,5-dioxo-4-(phenylmethyl)-1-imidazolidinyl]-N-(2-fluorophenyl)acetamide
2-[4-(benzyl)-2,5-diketo-imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
2-[2,5-dioxo-4-(phenylmethyl)imidazolidin-1-yl]-N-(2-fluorophenyl)ethanamide
T5383757

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
Toxoplasma gondii	ABC1 family protein	0.0043	0.0991	0.1971
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.1912	0.38
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Brugia malayi	beta-lactamase	0.0043	0.0991	0.2937
Mycobacterium ulcerans	lipase LipD	0.0043	0.0991	0.0073
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0991	0.1971
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0991	0.7935
Leishmania major	cathepsin L-like protease	0.0067	0.1912	0.38
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0991	0.1598
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0991	0.1598
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.1912	0.38
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0991	0.002
Brugia malayi	beta-lactamase family protein	0.0043	0.0991	0.2937
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0991	0.0073
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0149	0.503	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1345	0.3984
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0991	0.002
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Mycobacterium ulcerans	thymidylate synthase	0.0106	0.3376	1
Leishmania major	hypothetical protein, conserved	0.0043	0.0991	0.1971
Echinococcus granulosus	thymidylate synthase	0.0106	0.3376	0.5442
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0106	0.3376	0.5442
Echinococcus multilocularis	geminin	0.0179	0.6204	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.1912	0.38
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1178	0.1899
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1178	0.1899
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1345	0.3984
Brugia malayi	Dihydrofolate reductase	0.0043	0.0974	0.2884
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0149	0.503	1
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.125	1
Echinococcus multilocularis	thymidylate synthase	0.0106	0.3376	0.5442
Mycobacterium tuberculosis	Hypothetical protein	0.005	0.125	0.0305
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0991	0.002
Chlamydia trachomatis	dihydrofolate reductase	0.0043	0.0974	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0704	0.2086
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Brugia malayi	thymidylate synthase	0.0106	0.3376	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.1357	0.2697
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0991	0.002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1178	0.1899
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0991	0.002
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0991	0.7935
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0704	0.2086
Leishmania major	cathepsin L-like protease	0.0067	0.1912	0.38
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1178	0.1899
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0149	0.503	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0991	0.7935
Schistosoma mansoni	hypothetical protein	0.0179	0.6204	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.1912	0.38
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1178	0.1899
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.1687	0.3353
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0991	0.1598
Loa Loa (eye worm)	dihydrofolate reductase	0.0043	0.0974	0.2884
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0991	0.1598
Onchocerca volvulus		0.0043	0.0991	0.2937
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0106	0.3376	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0991	0.002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1178	0.1899
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0991	0.7935
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1178	0.3489
Schistosoma mansoni	hypothetical protein	0.0036	0.0704	0.1135
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0991	0.2937
Echinococcus multilocularis	dihydrofolate reductase	0.0043	0.0974	0.157
Onchocerca volvulus		0.0043	0.0991	0.2937
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.005	0.125	0.2484
Onchocerca volvulus		0.0106	0.3376	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0991	0.002
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1178	0.1899
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1178	0.3489
Onchocerca volvulus		0.0043	0.0991	0.2937
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Echinococcus granulosus	geminin	0.0179	0.6204	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0991	0.002
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0325	0.0961
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0106	0.3376	0.2662
Schistosoma mansoni	hypothetical protein	0.0179	0.6204	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0991	0.002
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0149	0.503	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1345	0.3984
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0991	0.0073
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0325	0.0961
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0991	0.0073
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0991	0.2937
Brugia malayi	hypothetical protein	0.005	0.125	0.3701
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Trichomonas vaginalis	esterase, putative	0.0043	0.0991	0.7935
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0991	0.1971
Schistosoma mansoni	dihydrofolate reductase	0.0043	0.0974	0.157
Brugia malayi	beta-lactamase family protein	0.0043	0.0991	0.2937
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1345	0.3984
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0991	0.2937
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0991	0.002
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Brugia malayi	dihydrofolate reductase family protein	0.0043	0.0974	0.2884
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0149	0.503	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0991	0.1971
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0991	0.7935
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0991	0.0073
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.1912	0.2278
Loa Loa (eye worm)	thymidylate synthase	0.0106	0.3376	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0991	0.0073
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0149	0.503	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0991	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0991	0.2937
Echinococcus granulosus	dihydrofolate reductase	0.0043	0.0974	0.157
Leishmania major	cathepsin L-like protease	0.0067	0.1912	0.38

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.631 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)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1396628

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 1287642