TDR Targets

Basic information

Technical information

TDR Targets ID: 1386750
Name: N,N-diethyl-2-[[2-nitro-4-(trifluoromethyl)ph enyl]amino]acetamide
MW: 319.28 | Formula: C13H16F3N3O3
H donors: 1 H acceptors: 3 LogP: 3.43 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)CC
InChi: 1S/C13H16F3N3O3/c1-3-18(4-2)12(20)8-17-10-6-5-9(13(14,15)16)7-11(10)19(21)22/h5-7,17H,3-4,8H2,1-2H3
InChiKey: ZRNZSBMOAKQERZ-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,N-diethyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanamide
MLS000663922
N~1~,N~1~-diethyl-N~2~-[2-nitro-4-(trifluoromethyl)phenyl]glycinamide
SMR000270539
ZINC04818983

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	G protein-coupled receptor	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	follicle stimulating hormone receptor	0.0059	0.1936	0.1936
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3071	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	AKH receptor	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3071	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	sulfakinin receptor protein	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0	0.5
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	neuropeptide F receptor	0.0059	0.1936	0.1936
Brugia malayi	G-protein coupled receptor	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0059	0.1936	0.1936
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3071	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3071	0.3071
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	Dopamine receptor protein 1	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0	0.5
Brugia malayi	Melatonin receptor type 1A	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	larval opioid receptor	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0059	0.1936	0.5
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3071	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0059	0.1936	0.1936
Loa Loa (eye worm)	neuropeptide F receptor	0.0059	0.1936	0.1936
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3071	0.3071
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0059	0.1936	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0059	0.1936	0.1936
Echinococcus granulosus	muscleblind protein	0.018	1	1
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0	0.5
Brugia malayi	putative neuropeptide receptor	0.0059	0.1936	0.1936
Brugia malayi	Dopamine receptor protein 2	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	RE15519p	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3071	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0059	0.1936	0.1936
Brugia malayi	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	Dopamine receptor	0.0059	0.1936	0.1936
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3071	0.1408
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3071	0.3071
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Echinococcus multilocularis	muscleblind protein 1	0.018	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0059	0.1936	0.1936
Brugia malayi	Serotonin receptor	0.0059	0.1936	0.1936
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	G-protein coupled receptor	0.0059	0.1936	0.1936
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0059	0.1936	0.1936
Leishmania major	hypothetical protein, conserved	0.003	0	0.5
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Onchocerca volvulus		0.0059	0.1936	0.5
Brugia malayi	neuropeptide F receptor	0.0059	0.1936	0.1936
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3071	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Echinococcus multilocularis	muscleblind protein	0.018	1	1
Brugia malayi	RNA binding protein	0.0076	0.3071	0.3071
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3071	0.3071
Brugia malayi	Serotonin receptor	0.0059	0.1936	0.1936
Onchocerca volvulus		0.0059	0.1936	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0059	0.1936	0.1936
Loa Loa (eye worm)	melatonin receptor type 1A	0.0059	0.1936	0.1936
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0059	0.1936	0.1936
Brugia malayi	ORL1-like opioid receptor	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1936	0.1936
Brugia malayi	G protein-coupled receptor F59B2.13	0.0059	0.1936	0.1936
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0	0.5
Brugia malayi	TAR-binding protein	0.0076	0.3071	0.3071
Onchocerca volvulus		0.0059	0.1936	0.5
Brugia malayi	GnHR receptor homolog	0.0059	0.1936	0.1936

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 39.994 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
EC50 (binding)	> 300 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	0.3981 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	11.2202 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1538997

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 1386750