TDR Targets

Basic information

Technical information

TDR Targets ID: 1273548
Name: N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imid azolidin-4-yl]benzenesulfonamide
MW: 399.344 | Formula: C16H12F3N3O4S
H donors: 2 H acceptors: 4 LogP: 2.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(C(=O)N1c1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChi: 1S/C16H12F3N3O4S/c17-16(18,19)15(21-27(25,26)12-9-5-2-6-10-12)13(23)22(14(24)20-15)11-7-3-1-4-8-11/h1-10,21H,(H,20,24)
InChiKey: OGUJMSMDDWADDL-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-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)-4-imidazolidinyl]benzenesulfonamide
N-[2,5-diketo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
NCGC00102272-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

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
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0041	0.122	0.5175
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0041	0.122	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1772	0.2024
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.1033	0.4362
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0576	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.2326	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1297	0.551
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0169	0.0593
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8755	1
Trypanosoma brucei	unspecified product	0.0023	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1588	0.1814
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0576	0.0658
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0576	0.2369
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0576	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0479	0.1945
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Schistosoma mansoni	bromodomain containing protein	0.0076	0.2481	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0479	0.1931
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0169	0.0593
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0403	0.6995
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0576	0.2369
Schistosoma mansoni	hypothetical protein	0.0018	0.0403	0.1625
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1505	0.1719
Brugia malayi	Bromodomain containing protein	0.0046	0.1399	0.1598
Plasmodium vivax	SET domain protein, putative	0.0036	0.1033	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0576	1
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0479	0.1945
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0169	0.0593
Echinococcus granulosus	zinc finger protein	0.0024	0.0588	0.2421
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.1033	0.4165
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1772	0.7142
Brugia malayi	PHD-finger family protein	0.003	0.0819	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2804	0.3202
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.1356	0.5464
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0041	0.122	0.5175
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0576	0.2323
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0039	0.1123	0.1093
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0576	1
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0576	0.2323
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0576	0.5
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0576	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0033	0.0038
Echinococcus granulosus	dna polymerase eta	0.0023	0.0576	0.2369
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.1033	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0033	0.0134
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0169	0.0593
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0634	0.0724
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0576	0.5
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0033	0.0038
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0041	0.122	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1402	0.1602
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1772	0.7142
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0576	0.0545
Trypanosoma brucei	unspecified product	0.0016	0.0317	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Schistosoma mansoni	zinc finger protein	0.0018	0.0403	0.1625
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0576	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0717	0.2982
Brugia malayi	Pre-SET motif family protein	0.0251	0.8755	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0057	0.1772	0.7583
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0576	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0576	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0576	0.0658
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0576	1
Echinococcus multilocularis	zinc finger protein	0.0024	0.0588	0.2421
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0576	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Leishmania major	hypothetical protein, conserved	0.0018	0.0403	0.6995
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0576	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0039	0.1123	0.1093
Schistosoma mansoni	zinc finger protein	0.0024	0.0588	0.2372
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0317	0.55
Trypanosoma brucei	ISWI complex protein	0.0018	0.0403	0.6995
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0033	0.0134
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0479	0.1931
Brugia malayi	Pre-SET motif family protein	0.0036	0.1033	0.1181
Brugia malayi	Bromodomain containing protein	0.0091	0.2989	0.3414
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0576	0.2369
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0057	0.1772	0.7583
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1025	0.117
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0169	0.0193
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.2326	1
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0506	0.0578
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0576	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0033	0.0134
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0576	1
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0576	0.2369
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0576	0.0658
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0317	0.55
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0717	0.2889
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.1033	0.4165
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0169	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0033	0.0038
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.0033	0.0038
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1297	0.551
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0317	0.55
Leishmania major	DNA polymerase eta, putative	0.0023	0.0576	1
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0033	0.0134
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0576	0.2323
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0576	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0033	0.0134
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0634	0.2556
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0576	0.2369
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0169	0.0682
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0986	0.4155
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0169	0.0193
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0403	0.6995
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0576	1
Trypanosoma brucei	unspecified product	0.0016	0.0317	0.55
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0033	0.0134
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0717	0.2982
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0576	0.0545
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.1356	0.5464
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0576	0.0658

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	0.631 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
Potency (functional)	0.631 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	26.1216 uM	PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 100 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

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: CHEMBL1373265

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 1273548