TDR Targets

Basic information

Technical information

TDR Targets ID: 1404002
Name: 2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromet hyl)phenyl]acetamide
MW: 279.279 | Formula: C11H12F3NO2S
H donors: 2 H acceptors: 2 LogP: 1.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCSCC(=O)Nc1cccc(c1)C(F)(F)F
InChi: 1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10(17)7-18-5-4-16/h1-3,6,16H,4-5,7H2,(H,15,17)
InChiKey: QROBKRLKNXWAFR-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-hydroxyethylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
2-(2-hydroxyethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]ethanamide
MLS000088714
ZINC02833278
2-(2-Hydroxy-ethylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
BAS 02992789
SMR000072731
2-[(2-hydroxyethyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
A3020/0127308

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium ulcerans	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania infantum	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma japonicum	ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma congolense	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania braziliensis	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	hypothetical protein	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania mexicana	6-phospho-1-fructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania donovani	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus granulosus	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus multilocularis	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania major	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0166	0.1109	0.1109
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0044	0.0164	0.0164
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0094	0.0548	0.0548
Brugia malayi	conserved hypotetical protein	0.0044	0.0164	0.0186
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0019	0.0008
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0035	0.0096	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0095	0.0093
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.1074	0.8141	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0287	0.0338
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0161	0.0183
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.0164	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0094	0.0548	0.053
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0094	0.0548	0.0658
Echinococcus granulosus	FTZ F1 alpha	0.0094	0.0548	0.053
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0303	0.0357
Leishmania major	ATP-dependent phosphofructokinase	0.0131	0.0837	0.1015
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0094	0.0548	0.0658
Brugia malayi	TAR-binding protein	0.0062	0.0303	0.0357
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0094	0.0548	0.0658
Brugia malayi	nuclear receptor NHR-88	0.0094	0.0548	0.0658
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0169	0.015
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.005	0.0205	0.0194
Schistosoma mansoni	coup transcription factor	0.0094	0.0548	0.0548
Brugia malayi	nuclear hormone receptor	0.0094	0.0548	0.0658
Echinococcus multilocularis	nuclear receptor nhr 48	0.0044	0.0164	0.0151
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.0164	0.0186
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0837	1
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0019	0.0765
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0095	0.0095
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.0164	0.0145
Brugia malayi	ecdysone receptor	0.0044	0.0164	0.0186
Brugia malayi	6-phosphofructokinase	0.0131	0.0837	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0094	0.0548	0.0658
Brugia malayi	Nuclear hormone receptor-like 1	0.005	0.0205	0.0237
Brugia malayi	hypothetical protein	0.0044	0.0164	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0094	0.0548	0.0658
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0837	0.1015
Schistosoma mansoni	hypothetical protein	0.0035	0.0095	0.0095
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0094	0.0548	0.053
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0044	0.0164	0.0186
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0161	0.0183
Entamoeba histolytica	hypothetical protein	0.0035	0.0095	0.0093
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0094	0.0548	0.053
Brugia malayi	RNA binding protein	0.0062	0.0303	0.0357
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0303	0.0357
Echinococcus multilocularis	transcription factor Dp 1	0.0622	0.4637	0.4812
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0035	0.0096	1
Onchocerca volvulus	Bile acid receptor homolog	0.0094	0.0548	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0094	0.0548	0.0551
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0096	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0044	0.0164	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0303	0.0303
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0096	0.5
Brugia malayi	nuclear receptor NHR-67	0.0044	0.0164	0.0186
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.1074	0.8141	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.0164	0.0151
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0096	0.5
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0837	0.0837
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0237
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0161	0.0161
Echinococcus granulosus	dna polymerase eta	0.0044	0.0161	0.0143
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0094	0.0548	0.0548
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.006	0.0059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0169	0.0169
Toxoplasma gondii	phosphofructokinase PFKII	0.0035	0.0096	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.005	0.0205	0.0237
Schistosoma mansoni	nuclear receptor	0.0044	0.0164	0.0164
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0044	0.0164	0.0186
Schistosoma mansoni	thyroid hormone receptor	0.0094	0.0548	0.0548
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0094	0.0548	0.0551
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0094	0.0548	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0131	0.0837	0.5
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.1074	0.8141	1
Schistosoma mansoni	hypothetical protein	0.0166	0.1109	0.1109
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0303	0.0357
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.1074	0.8141	0.8463
Schistosoma mansoni	nuclear hormone receptor	0.0094	0.0548	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Brugia malayi	ecdysteroid receptor	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.006	0.0287	0.0338
Toxoplasma gondii	6-phosphofructokinase	0.0035	0.0096	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.005	0.0205	0.0205
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1265	0.9616	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0044	0.0164	0.0186
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0094	0.0548	0.0551
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0303	0.0284
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0094	0.0548	0.0658
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.0164	0.0151
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0837	1
Brugia malayi	hypothetical protein	0.005	0.0205	0.0237
Echinococcus granulosus	thyroid hormone receptor alpha	0.0044	0.0164	0.0145
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Schistosoma mansoni	hypothetical protein	0.0041	0.014	0.014
Brugia malayi	steroid hormone receptor	0.0094	0.0548	0.0658
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.005	0.0205	0.0205
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0169	0.0169
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0094	0.0548	0.0658
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0837	1
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.0164	0.0186
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.1074	0.8141	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0094	0.0548	0.053
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0094	0.0548	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Schistosoma mansoni	zinc finger protein	0.0044	0.0164	0.0164
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0019	0.0008
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0837	0.1015
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0131	0.0837	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0094	0.0548	0.053
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0169	0.015
Loa Loa (eye worm)	DR-78	0.0044	0.0164	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Echinococcus granulosus	transcription factor Dp 1	0.0622	0.4637	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0041	0.014	0.0156
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.0164	0.0164
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0044	0.0164	0.0145
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0096	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0169	0.0156
Entamoeba histolytica	hypothetical protein	0.0035	0.0095	0.0093
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0094	0.0548	0.0548
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0044	0.0164	0.0186
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0094	0.0548	0.053
Leishmania major	DNA polymerase eta, putative	0.0031	0.006	0.0059
Schistosoma mansoni	nuclear receptor nhr-48	0.0044	0.0164	0.0164
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0094	0.0548	0.0548
Brugia malayi	tailless protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	steroid hormone receptor	0.0094	0.0548	0.0658
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0094	0.0548	0.0548
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0035	0.0096	0.0937
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0094	0.0548	0.0548
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0169	0.0169
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0131	0.0837	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0169	0.0192
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.1074	0.8141	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0044	0.0164	0.0186
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0094	0.0548	0.0658
Brugia malayi	orphan nuclear receptor NR2E1	0.0044	0.0164	0.0186
Brugia malayi	6-phosphofructokinase	0.0131	0.0837	0.1015
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0287	0.0338
Brugia malayi	Nuclear hormone receptor-like 1	0.0094	0.0548	0.0658
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.0164	0.0151
Echinococcus multilocularis	6 phosphofructokinase	0.0131	0.0837	0.0853
Schistosoma mansoni	thyroid hormone receptor	0.0094	0.0548	0.0548
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0161	0.0148
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0837	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0096	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0044	0.0164	0.0151
Brugia malayi	nuclear receptor RXR	0.0044	0.0164	0.0186
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.1074	0.8141	0.8137
Brugia malayi	photoreceptor-specific nuclear receptor	0.0094	0.0548	0.0658
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0094	0.0548	0.0658
Brugia malayi	hypothetical protein	0.0044	0.0164	0.0186
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.1074	0.8141	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0019	0.0008
Echinococcus multilocularis	geminin	0.0166	0.1109	0.1136
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0044	0.0164	0.0164
Brugia malayi	nuclear receptor RXR	0.005	0.0205	0.0237
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0095	0.0079
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0169	0.0156
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0303	0.0295
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0094	0.0548	0.0658
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0094	0.0548	0.053
Leishmania major	DNA polymerase eta, putative	0.0044	0.0161	0.0183
Brugia malayi	Steroid receptor seven-up type 2	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	phosphofructokinase	0.0131	0.0837	0.1015
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0094	0.0548	0.0658
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0287	0.0338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0094	0.0548	0.0658
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0837	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0094	0.0548	0.0551
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0237
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0095	0.0076
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0094	0.0548	0.0658
Mycobacterium ulcerans	6-phosphofructokinase	0.0131	0.0837	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0096	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0095	0.0093
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.0164	0.0145
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0094	0.0548	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0303	0.0303
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.006	0.573
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0837	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0161	0.0183
Echinococcus multilocularis	FTZ F1 alpha	0.0094	0.0548	0.0551
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0237
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0548	0.0658
Brugia malayi	Nuclear hormone receptor-like 1	0.005	0.0205	0.0237
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0094	0.0548	0.0551
Onchocerca volvulus	Protein ultraspiracle homolog	0.0094	0.0548	1
Brugia malayi	nuclear hormone receptor	0.0044	0.0164	0.0186
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0019	0.0008
Brugia malayi	Flap endonuclease-1	0.0026	0.0019	0.0008
Brugia malayi	hypothetical protein	0.0035	0.0095	0.0101
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.005	0.0205	0.0186
Schistosoma mansoni	nuclear receptor	0.0044	0.0164	0.0164
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.1074	0.8141	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0035	0.0096	0.0094
Schistosoma mansoni	RAR-like nuclear receptor	0.0094	0.0548	0.0548
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0094	0.0548	0.0548
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0019	0.0765
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0837	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0094	0.0548	0.0658
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0237
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0837	0.1008
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.1074	0.8141	0.8141
Onchocerca volvulus		0.0094	0.0548	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0164	0.0186
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0094	0.0548	0.0658
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0303	0.0303
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.014	0.0156
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0837	0.0837
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0837	0.1015
Loa Loa (eye worm)	nuclear hormone receptor	0.0044	0.0164	0.0186
Echinococcus granulosus	6 phosphofructokinase	0.0131	0.0837	0.082
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0169	0.0192
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0303	0.0357
Echinococcus granulosus	geminin	0.0166	0.1109	0.1092
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.0164	0.0164
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0161	0.0183
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0094	0.0548	0.0658
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0019	0.0765
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0094	0.0548	0.0658
Brugia malayi	hypothetical protein	0.005	0.0205	0.0237
Echinococcus multilocularis	ecdysone induced protein 78C	0.0094	0.0548	0.0551
Brugia malayi	nuclear receptor NHR-88	0.0044	0.0164	0.0186
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0096	0.0937
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0094	0.0548	0.0658
Brugia malayi	phosphofructokinase	0.0131	0.0837	0.1015

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1694 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	ChEMBL.	No reference
Potency (functional)	0.4467 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 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

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: CHEMBL1564675

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1404002