TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 539.569 | Formula: C28H24F3N3O3S
H donors: 3 H acceptors: 3 LogP: 3.99 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.COc1ccc(cc1)CNCc1cccc(c1)c1ccc(s1)c1nc2c([nH]1)cccc2
InChi: 1S/C26H23N3OS.C2HF3O2/c1-30-21-11-9-18(10-12-21)16-27-17-19-5-4-6-20(15-19)24-13-14-25(31-24)26-28-22-7-2-3-8-23(22)29-26;3-2(4,5)1(6)7/h2-15,27H,16-17H2,1H3,(H,28,29);(H,6,7)
InChiKey: HVCWHKQHCLEGOD-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

No synonyms found for this compound

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
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0113	0.0113
Echinococcus granulosus	hypothetical protein	0.0186	0.3097	0.6126
Brugia malayi	nuclear receptor RXR	0.0012	0.0098	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Plasmodium vivax	aldehyde reductase, putative	0.0054	0.0824	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0186	0.3097	0.3097
Brugia malayi	Nuclear hormone receptor E75	0.0012	0.0098	0.0194
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0172	0.034
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0098	0.0316
Trypanosoma cruzi	aldo/keto reductase, putative	0.0186	0.3097	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0323	0.0639
Echinococcus multilocularis	muscleblind protein	0.0299	0.5056	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Onchocerca volvulus		0.0186	0.3097	1
Echinococcus granulosus	aldehyde reductase	0.0132	0.217	0.4292
Echinococcus granulosus	CTD small phosphatase protein like	0.0013	0.0113	0.0224
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0113	0.0365
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0323	0.1044
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0013	0.0122	0.0394
Brugia malayi	orphan nuclear receptor NR2E1	0.0012	0.0098	0.0194
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.1957	0.3871
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0578	0.0578
Schistosoma mansoni	pol-related	0.0186	0.3097	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0025	0.0323	0.0639
Onchocerca volvulus		0.0012	0.0098	0.0316
Mycobacterium leprae	Conserved hypothetical protein	0.0132	0.217	0.5922
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0679	0.2193
Brugia malayi	nuclear receptor RXR	0.0013	0.0122	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0012	0.0098	0.0194
Entamoeba histolytica	aldose reductase, putative	0.0186	0.3097	0.3097
Brugia malayi	Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1	0.0013	0.0113	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0323	0.0639
Trypanosoma brucei	prostaglandin f synthase	0.0186	0.3097	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.064	0.7409
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0025	0.0323	0.1044
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0147	0.2423	0.4792
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0013	0.0122	0.0394
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0323	0.0639
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0025	0.0323	0.0639
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0679	0.1344
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.1957	0.3871
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0172	0.034
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.064	0.1765
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0025	0.0323	0.0639
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0012	0.0098	0.0194
Loa Loa (eye worm)	oxidoreductase	0.0186	0.3097	0.6126
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.064	0.064
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Echinococcus multilocularis	muscleblind protein 1	0.0299	0.5056	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0186	0.3097	0.6126
Giardia lamblia	Nuclear LIM interactor-interacting factor 1	0.0013	0.0113	0.0365
Echinococcus multilocularis	aldo keto reductase	0.0186	0.3097	0.6126
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0186	0.3097	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Echinococcus granulosus	FTZ F1 alpha	0.0025	0.0323	0.0639
Giardia lamblia	Aldose reductase	0.0186	0.3097	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0323	0.0639
Echinococcus multilocularis	Carboxy terminal domain RNA polymerase II	0.0013	0.0113	0.0224
Trichomonas vaginalis	aldo/keto reductase, putative	0.0186	0.3097	0.3097
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0323	0.1044
Echinococcus granulosus	Carboxy terminal domain RNA polymerase II	0.0013	0.0113	0.0224
Toxoplasma gondii	aldo-keto reductase	0.0054	0.0824	0.2382
Trichomonas vaginalis	aldo/keto reductase, putative	0.0186	0.3097	0.3097
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0025	0.0323	0.0639
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0122	0.0241
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0025	0.0323	0.0639
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0012	0.0098	0.0194
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0186	0.3097	0.6126
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0679	0.1344
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0025	0.0323	0.0639
Schistosoma mansoni	nuclear receptor	0.0012	0.0098	0.0316
Echinococcus multilocularis		0.0013	0.0113	0.0224
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0054	0.0824	0.0824
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Trypanosoma brucei	aldo/keto reductase, putative	0.0054	0.0824	0.266
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0025	0.0323	0.1044
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0113	0.0365
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0025	0.0323	0.0639
Echinococcus granulosus	ecdysone induced protein 78C	0.0025	0.0323	0.0639
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0122	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0012	0.0098	0.0194
Trypanosoma brucei	Mitochondrial import inner membrane translocase subunit TIM50	0.0013	0.0113	0.0365
Onchocerca volvulus		0.0054	0.0824	0.266
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0013	0.0122	0.0241
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0586	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0025	0.0323	0.0639
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0098	0.0194
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0122	0.0241
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0679	0.2193
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0766	0.1514
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0012	0.0098	0.0316
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0054	0.0824	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0323	0.0639
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0012	0.0098	0.0194
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0554
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0323	0.0639
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0025	0.0323	0.0639
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0012	0.0098	0.0194
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0766	0.1514
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0054	0.0824	0.1629
Trichomonas vaginalis	aldo-keto reductase, putative	0.0054	0.0824	0.0824
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0025	0.0323	0.0639
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0578	0.6538
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0013	0.0122	0.0241
Onchocerca volvulus		0.0012	0.0098	0.0316
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0012	0.0098	0.0194
Echinococcus multilocularis	aldehyde reductase	0.0132	0.217	0.4292
Brugia malayi	acetyltransferase, GNAT family protein	0.0147	0.2423	0.4792
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0054	0.0824	0.0824
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0323	0.1044
Mycobacterium tuberculosis	Probable oxidoreductase	0.0186	0.3097	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.5056	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0025	0.0323	0.0639
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0679	0.2193
Schistosoma mansoni	coup transcription factor	0.0025	0.0323	0.1044
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Trichomonas vaginalis	aldo/keto reductase, putative	0.0186	0.3097	0.3097
Echinococcus multilocularis	aldo keto reductase	0.0186	0.3097	0.6126
Onchocerca volvulus	Bile acid receptor homolog	0.0025	0.0323	0.1044
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0323	0.0639
Echinococcus granulosus	aldo keto reductase	0.0186	0.3097	0.6126
Onchocerca volvulus		0.0025	0.0323	0.1044
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Brugia malayi	nuclear hormone receptor	0.0025	0.0323	0.0639
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0098	0.0316
Echinococcus granulosus	muscleblind protein	0.0299	0.5056	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0766	0.1514
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Entamoeba histolytica	aldose reductase, putative	0.0186	0.3097	0.3097
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.2352	0.4652
Echinococcus multilocularis	ecdysone induced protein 78C	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0012	0.0098	0.0194
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0025	0.0323	0.0639
Schistosoma mansoni	retinoic acid receptor RXR	0.0025	0.0323	0.1044
Trypanosoma cruzi	aldo/keto reductase, putative	0.0054	0.0824	0.266
Brugia malayi	NADH-dependent xylose reductase	0.0054	0.0824	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0186	0.3097	0.6126
Brugia malayi	tailless protein	0.0012	0.0098	0.0194
Leishmania major	prostaglandin f synthase, putative	0.0186	0.3097	1
Echinococcus granulosus	aldo keto reductase	0.0186	0.3097	0.6126
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0013	0.0113	0.0113
Giardia lamblia	Aldose reductase	0.0186	0.3097	1
Plasmodium falciparum	aldehyde reductase, putative	0.0054	0.0824	1
Schistosoma mansoni	zinc finger protein	0.0012	0.0098	0.0316
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0113	0.0113
Schistosoma mansoni	nuclear receptor nhr-48	0.0012	0.0098	0.0316
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Brugia malayi	photoreceptor-specific nuclear receptor	0.0025	0.0323	0.0639
Trichomonas vaginalis	aldo-keto reductase, putative	0.0054	0.0824	0.0824
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0172	0.034
Loa Loa (eye worm)	oxidoreductase	0.0186	0.3097	0.6126
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0054	0.0824	0.266
Loa Loa (eye worm)	oxidoreductase	0.0186	0.3097	0.6126
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.064	0.1265
Brugia malayi	nuclear receptor NHR-67	0.0012	0.0098	0.0194
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0323	0.1044
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0012	0.0098	0.0316
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0491	0.0971
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0491	0.0971
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0012	0.0098	0.0316
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0147	0.2423	0.7823
Mycobacterium ulcerans	oxidoreductase	0.0186	0.3097	1
Schistosoma mansoni	aldo-keto reductase	0.0186	0.3097	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0122	0.0241
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0172	0.034
Brugia malayi	hypothetical protein	0.0013	0.0122	0.0241
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0025	0.0323	0.0639
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0186	0.3097	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.1957	0.3871
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0186	0.3097	0.3097
Entamoeba histolytica	aldose reductase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0323	0.0639
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0186	0.3097	1
Brugia malayi	Nuclear hormone receptor E75	0.0012	0.0098	0.0194
Echinococcus multilocularis	aldo keto reductase	0.0186	0.3097	0.6126
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0054	0.0824	0.2382
Onchocerca volvulus		0.0186	0.3097	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0012	0.0098	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0122	0.0241
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0054	0.0824	0.1629
Brugia malayi	nuclear hormone receptor	0.0012	0.0098	0.0194
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.012	0.1957	0.6319
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0025	0.0323	0.0639
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0679	0.1344
Brugia malayi	ecdysteroid receptor	0.0025	0.0323	0.0639
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.1957	0.3871
Schistosoma mansoni	potassium channel beta	0.0054	0.0824	0.266
Echinococcus granulosus	aldo keto reductase	0.0186	0.3097	0.6126
Brugia malayi	hypothetical protein	0.0012	0.0098	0.0194
Echinococcus multilocularis	aldo keto reductase	0.0186	0.3097	0.6126
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0554
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0025	0.0323	0.1044
Schistosoma mansoni	RAR-like nuclear receptor	0.0025	0.0323	0.1044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0679	0.1344
Schistosoma mansoni	aldo-keto reductase	0.0186	0.3097	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0186	0.3097	1
Loa Loa (eye worm)	acetyltransferase	0.0147	0.2423	0.4792
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0025	0.0323	0.0639
Trichomonas vaginalis	aldo-keto reductase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	hypothetical protein	0.0299	0.5056	1
Brugia malayi	nuclear receptor NHR-88	0.0025	0.0323	0.0639
Schistosoma mansoni	hypothetical protein	0.0012	0.011	0.0356
Echinococcus granulosus	nuclear receptor nhr 48	0.0012	0.0098	0.0194
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0025	0.0323	0.1044
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0186	0.3097	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0679	0.1344
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0054	0.0824	0.2382
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Plasmodium falciparum	aldo-keto reductase, putative	0.0054	0.0824	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0012	0.0098	0.0194
Loa Loa (eye worm)	DR-78	0.0012	0.0098	0.0194
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0025	0.0323	0.1044
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0122	0.0241
Schistosoma mansoni	hypothetical protein	0.0034	0.0491	0.1584
Brugia malayi	hypothetical protein	0.0012	0.0098	0.0194
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0172	0.034
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0172	0.034
Onchocerca volvulus		0.0186	0.3097	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0323	0.0639
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0679	0.1344
Loa Loa (eye worm)	hypothetical protein	0.005	0.0766	0.1514
Leishmania major	hypothetical protein, conserved	0.0013	0.0113	0.0365
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0054	0.0824	0.1629
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.064	0.1765
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0025	0.0323	0.0639
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0172	0.034
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0012	0.0098	0.0194
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0012	0.0098	0.0194
Brugia malayi	nuclear hormone receptor family member odr-7	0.0012	0.0098	0.0194
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.1957	0.3871
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0554
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0012	0.0098	0.0194
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0186	0.3097	0.3097
Loa Loa (eye worm)	oxidoreductase	0.0186	0.3097	0.6126
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0172	0.034
Brugia malayi	ecdysone receptor	0.0012	0.0098	0.0194
Trichomonas vaginalis	aldo-keto reductase, putative	0.0054	0.0824	0.0824
Echinococcus granulosus	voltage gated potassium channel subunit	0.0054	0.0824	0.1629
Schistosoma mansoni	nuclear receptor	0.0012	0.0098	0.0316
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0054	0.0824	1
Loa Loa (eye worm)	oxidoreductase	0.0186	0.3097	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0172	0.034
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0113	0.0113
Echinococcus multilocularis	FTZ F1 alpha	0.0025	0.0323	0.0639
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0025	0.0323	0.0639
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Echinococcus granulosus	GPCR family 2	0.0016	0.0172	0.034
Echinococcus multilocularis	nuclear receptor nhr 48	0.0012	0.0098	0.0194
Onchocerca volvulus		0.0186	0.3097	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0025	0.0323	0.1044
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0323	0.0639
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0013	0.0122	0.0241
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0113	0.0113
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0025	0.0323	0.0639
Brugia malayi	hypothetical protein	0.0013	0.0122	0.0241
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0323	0.0639
Leishmania major	aldo-keto reductase-like protein	0.0186	0.3097	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0122	0.0241
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0098	0.0194
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0578	0.1865
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0554
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0054	0.0824	0.0824
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0098	0.0194
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0025	0.0323	0.0639
Trypanosoma cruzi	aldo-keto reductase	0.0186	0.3097	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0025	0.0323	0.0639
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0098	0.0194
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0113	0.0365
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.1957	0.3871
Onchocerca volvulus		0.0186	0.3097	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0186	0.3097	0.6126
Brugia malayi	conserved hypotetical protein	0.0012	0.0098	0.0194
Loa Loa (eye worm)	steroid hormone receptor	0.0025	0.0323	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0012	0.011	0.0218
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.064	0.064
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0113	0.0224
Onchocerca volvulus		0.0186	0.3097	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0025	0.0323	0.0639
Loa Loa (eye worm)	nuclear hormone receptor	0.0012	0.0098	0.0194
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0025	0.0323	0.1044
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0186	0.3097	0.6126
Brugia malayi	Muscleblind-like protein	0.0299	0.5056	1
Brugia malayi	steroid hormone receptor	0.0025	0.0323	0.0639
Toxoplasma gondii	aldose reductase, putative	0.0186	0.3097	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0025	0.0323	0.1044
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0186	0.3097	0.6126

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 2.44 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 3.24 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 5.19 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 14 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 52 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 90 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 7.69	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 0 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 14 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 52 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 90 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.09	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.81618 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL526057
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593320