TDR Targets

Basic information

Technical information

TDR Targets ID: 867290
Name: N,N-diethyl-2-[3-[2-oxo-2-[[4-(trifluoromethy l)phenyl]amino]ethyl]sulfanylindol-1-yl]aceta mide
MW: 463.516 | Formula: C23H24F3N3O2S
H donors: 1 H acceptors: 2 LogP: 4.66 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)Cn1cc(c2c1cccc2)SCC(=O)Nc1ccc(cc1)C(F)(F)F)CC
InChi: 1S/C23H24F3N3O2S/c1-3-28(4-2)22(31)14-29-13-20(18-7-5-6-8-19(18)29)32-15-21(30)27-17-11-9-16(10-12-17)23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChiKey: ZQVQJJOPRUIPBQ-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-[3-[[2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]thio]-1-indolyl]acetamide
N,N-diethyl-2-[3-[[2-keto-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]thio]indol-1-yl]acetamide
N,N-diethyl-2-[3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]sulfanylindol-1-yl]ethanamide

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
Schistosoma mansoni	mucolipin	0.0063	0.0452	0.0452
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0268	0.356	0.356
Schistosoma mansoni	hypothetical protein	0.0337	0.4609	0.4609
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Entamoeba histolytica	hypothetical protein	0.0036	0.0034	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0042	0.0128	0.0128
Loa Loa (eye worm)	transcription factor SMAD2	0.0248	0.3255	0.4438
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0042	0.0128	0.0175
Echinococcus granulosus	ecdysone induced protein 78C	0.0042	0.0128	0.0128
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0034	0.0034
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0042	0.0128	0.0128
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.1415	0.1929
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0128	0.0175
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0042	0.0128	0.0128
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0268	0.356	0.356
Echinococcus multilocularis	mucolipin 3	0.0069	0.054	0.054
Schistosoma mansoni	microtubule-associated protein tau	0.0691	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1415	0.1415
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0042	0.0128	0.0175
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.0128	0.0128
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0042	0.0128	0.0175
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0042	0.0128	0.0175
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0042	0.0128	0.0175
Brugia malayi	nuclear receptor NHR-88	0.0042	0.0128	0.0175
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2459	0.1027
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0042	0.0128	0.0128
Loa Loa (eye worm)	MH2 domain-containing protein	0.0248	0.3255	0.4438
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0935	0.0935
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1415	0.1415
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0042	0.0128	0.0128
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.0128	0.0128
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0034	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2459	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0042	0.0128	0.0128
Schistosoma mansoni	retinoic acid receptor RXR	0.0042	0.0128	0.0128
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0115	0.1235	0.1684
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0128	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0042	0.0128	0.0175
Brugia malayi	Coelomocyte uptake defective protein 5	0.0069	0.054	0.0736
Echinococcus granulosus	GPCR family 2	0.0115	0.1235	0.1235
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0042	0.0128	0.0175
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0935	0.0935
Brugia malayi	Steroid receptor seven-up type 2	0.0042	0.0128	0.0175
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.0128	0.0128
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0128	0.0175
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0115	0.1235	0.1235
Brugia malayi	Latrophilin receptor protein 2	0.0115	0.1235	0.1684
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0128	0.0175
Loa Loa (eye worm)	glutaminase	0.0273	0.3633	0.4954
Schistosoma mansoni	RAR-like nuclear receptor	0.0042	0.0128	0.0128
Loa Loa (eye worm)	steroid hormone receptor	0.0042	0.0128	0.0175
Brugia malayi	hypothetical protein	0.0036	0.0034	0.0046
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0042	0.0128	0.0128
Schistosoma mansoni	hypothetical protein	0.0248	0.3262	0.3262
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1415	0.1415
Brugia malayi	Nuclear hormone receptor-like 1	0.0042	0.0128	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Schistosoma mansoni	hypothetical protein	0.0115	0.1235	0.1235
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0042	0.0128	0.0128
Echinococcus multilocularis	geminin	0.0337	0.4609	0.4609
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0034	0.0034
Loa Loa (eye worm)	RNA binding protein	0.0127	0.1415	0.1929
Schistosoma mansoni	mucolipin	0.0069	0.054	0.054
Echinococcus granulosus	FTZ F1 alpha	0.0042	0.0128	0.0128
Schistosoma mansoni	hypothetical protein	0.0036	0.0034	0.0034
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0115	0.1235	0.1684
Brugia malayi	TAR-binding protein	0.0127	0.1415	0.1929
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0042	0.0128	0.0128
Brugia malayi	nuclear hormone receptor	0.0042	0.0128	0.0175
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.0935	0.1274
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0935	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0128	0.0175
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.0128	0.0128
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0248	0.3262	0.4448
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0042	0.0128	0.0128
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0042	0.0128	0.0128
Schistosoma mansoni	hypothetical protein	0.0115	0.1235	0.1235
Echinococcus granulosus	geminin	0.0337	0.4609	0.4609
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Brugia malayi	RNA binding protein	0.0127	0.1415	0.1929
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1235	0.1684
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0042	0.0128	0.0128
Brugia malayi	glutaminase DH11.1	0.0273	0.3633	0.4954
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.0935	0.1274
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0516	0.7334	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0185	0.2307	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0034	0.0034
Entamoeba histolytica	hypothetical protein	0.0036	0.0034	0.5
Schistosoma mansoni	hypothetical protein	0.0115	0.1235	0.1235
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0363	0.5008	0.6829
Brugia malayi	latrophilin 2 splice variant baaae	0.0248	0.3262	0.4448
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0042	0.0128	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0042	0.0128	0.0175
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0042	0.0128	0.0128
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.1415	0.1929
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0282	0.3784	0.516
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0128	0.0175
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0042	0.0128	0.0128
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0935	0.0935
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0042	0.0128	0.0175
Echinococcus multilocularis	GPCR, family 2	0.0115	0.1235	0.1235
Brugia malayi	MH2 domain containing protein	0.0248	0.3255	0.4438
Echinococcus multilocularis	microtubule associated protein 2	0.0691	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.0128	0.0128
Entamoeba histolytica	hypothetical protein	0.0036	0.0034	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0042	0.0128	0.0128
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0115	0.1235	0.1235
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0363	0.5008	0.6829
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1415	0.1415
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0	0.5
Schistosoma mansoni	glutaminase	0.0273	0.3633	0.3633
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0042	0.0128	0.0175
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.0128	0.0128
Schistosoma mansoni	hypothetical protein	0.0115	0.1235	0.1235
Entamoeba histolytica	hypothetical protein	0.0036	0.0034	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0042	0.0128	0.0175
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0935	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Loa Loa (eye worm)	glutaminase 2	0.0273	0.3633	0.4954
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0042	0.0128	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0277	0.3708	0.5056
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0042	0.0128	0.0175
Brugia malayi	ecdysteroid receptor	0.0042	0.0128	0.0175
Loa Loa (eye worm)	mucolipin 1	0.0069	0.054	0.0736
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0128	0.0175
Echinococcus granulosus	mucolipin 3	0.0069	0.054	0.054
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0	0.5
Schistosoma mansoni	hypothetical protein	0.0337	0.4609	0.4609
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0935	0.0935
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0	0.5
Mycobacterium ulcerans	glutaminase	0.0273	0.3633	0.5
Loa Loa (eye worm)	hypothetical protein	0.0516	0.7334	1
Trichomonas vaginalis	glutaminase, putative	0.0273	0.3633	0.898
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0042	0.0128	0.0128
Trichomonas vaginalis	glucosylceramidase, putative	0.0282	0.3784	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0277	0.3708	0.5056
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0935	0.0935
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.0128	0.0128
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.1415	0.1415
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0042	0.0128	0.0128
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0282	0.3784	0.516
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.1415	0.1415
Echinococcus granulosus	tar DNA binding protein	0.0127	0.1415	0.1415
Brugia malayi	steroid hormone receptor	0.0042	0.0128	0.0175
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.1415	0.1929
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0042	0.0128	0.0128
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0042	0.0128	0.0128
Schistosoma mansoni	coup transcription factor	0.0042	0.0128	0.0128

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 867290