TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 634.483 | Formula: C27H35BrF3N3O6
H donors: 3 H acceptors: 4 LogP: 2.27 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.OC(CN(C(=O)Nc1ccc(cc1)Br)CCN1CCOCC1)COc1ccc(cc1)C(C)C
InChi: 1S/C25H34BrN3O4.C2HF3O2/c1-19(2)20-3-9-24(10-4-20)33-18-23(30)17-29(12-11-28-13-15-32-16-14-28)25(31)27-22-7-5-21(26)6-8-22;3-2(4,5)1(6)7/h3-10,19,23,30H,11-18H2,1-2H3,(H,27,31);(H,6,7)
InChiKey: OZTLLPCWWFKMRZ-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
Echinococcus granulosus	hypothetical protein	0.0917	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0073	0.067	0.0668
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0073	0.067	0.0668
Brugia malayi	hypothetical protein	0.0039	0.0289	0.0288
Schistosoma mansoni	retinoic acid receptor RXR	0.0073	0.067	0.067
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.1478	0.1478
Brugia malayi	tailless protein	0.0034	0.0244	0.0242
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0073	0.067	0.067
Loa Loa (eye worm)	oxidoreductase	0.0917	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0917	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0422	0.042
Brugia malayi	nuclear receptor NHR-67	0.0034	0.0244	0.0242
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0039	0.0037
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0073	0.067	0.0668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0073	0.067	0.067
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0073	0.067	0.0437
Trypanosoma brucei	aldo-keto reductase, putative	0.0917	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0266	0.28	0.2798
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0917	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0266	0.28	0.28
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0073	0.067	0.067
Brugia malayi	nuclear hormone receptor	0.0073	0.067	0.0668
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0119	0.118	0.1179
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0244	0.0244
Brugia malayi	nuclear receptor NHR-88	0.0073	0.067	0.0668
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0073	0.067	0.0668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0073	0.067	0.067
Schistosoma mansoni	pol-related	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Giardia lamblia	Aldose reductase	0.0917	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0917	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0119	0.118	0.1179
Brugia malayi	orphan nuclear receptor NR2E1	0.0034	0.0244	0.0242
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0034	0.0244	0.0242
Echinococcus granulosus	aldehyde reductase	0.0651	0.7064	0.7063
Giardia lamblia	Aldose reductase	0.0917	1	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0119	0.118	0.1179
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0039	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0289	0.0289
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0266	0.28	0.2798
Schistosoma mansoni	aldo-keto reductase	0.0917	1	1
Loa Loa (eye worm)	oxidoreductase	0.0917	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0266	0.28	0.2798
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0073	0.067	0.0668
Brugia malayi	acetyltransferase, GNAT family protein	0.0146	0.1478	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0289	0.0289
Mycobacterium leprae	Conserved hypothetical protein	0.0651	0.7064	0.5922
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0039	0.0037
Echinococcus multilocularis	aldehyde reductase	0.0651	0.7064	0.7063
Echinococcus granulosus	aldo keto reductase	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Brugia malayi	nuclear hormone receptor family member odr-7	0.0034	0.0244	0.0242
Brugia malayi	steroid hormone receptor	0.0073	0.067	0.0668
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.0584	0.632	0.632
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0039	0.0039
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Loa Loa (eye worm)	acetyltransferase	0.0146	0.1478	0.1478
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0034	0.0244	0.0242
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0039
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0073	0.067	0.067
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0073	0.067	0.067
Brugia malayi	photoreceptor-specific nuclear receptor	0.0073	0.067	0.0668
Brugia malayi	hypothetical protein	0.0039	0.0289	0.0288
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0039	0.0289	0.0289
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0039	0.0037
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0119	0.118	0.118
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0002	0.0002
Trypanosoma brucei	aldo/keto reductase, putative	0.0266	0.28	0.2798
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0034	0.0244	0.0242
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0073	0.067	0.0668
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0266	0.28	0.2798
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0073	0.067	0.0668
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0073	0.067	0.0668
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0034	0.0244	0.0244
Brugia malayi	nuclear hormone receptor	0.0034	0.0244	0.0242
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0034	0.0244	0.0244
Echinococcus multilocularis	aldo keto reductase	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Onchocerca volvulus		0.0917	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0243	0.0241
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0419	0.0417
Echinococcus multilocularis	ecdysone induced protein 78C	0.0073	0.067	0.0668
Trichomonas vaginalis	aldo/keto reductase, putative	0.0917	1	1
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0244	0.0242
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0244	0.0244
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Brugia malayi	hypothetical protein	0.0034	0.0244	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0917	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0073	0.067	0.0668
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0073	0.067	0.067
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0073	0.067	0.0668
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Loa Loa (eye worm)	oxidoreductase	0.0917	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0034	0.0244	0.0244
Echinococcus multilocularis	aldo keto reductase	0.0917	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0034	0.0244	0.0244
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0073	0.067	0.067
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Brugia malayi	Steroid receptor seven-up type 2	0.0073	0.067	0.0668
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0338	0.0337
Echinococcus multilocularis	aldo keto reductase	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Brugia malayi	Nuclear hormone receptor-like 1	0.0073	0.067	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0315	0.335	0.335
Onchocerca volvulus		0.0073	0.067	0.0437
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0419	0.0419
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0073	0.067	0.0668
Toxoplasma gondii	aldose reductase, putative	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0119	0.118	0.118
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.0289	0.0289
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0039
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0917	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0039	0.0289	0.0289
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0266	0.28	1
Trypanosoma cruzi	aldo-keto reductase	0.0917	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0073	0.067	0.0668
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0034	0.0244	0.0244
Onchocerca volvulus		0.0917	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0034	0.0244	0.0242
Trichomonas vaginalis	aldo-keto reductase, putative	0.0266	0.28	0.2798
Trichomonas vaginalis	aldo/keto reductase, putative	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Brugia malayi	NADH-dependent xylose reductase	0.0266	0.28	0.2798
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0266	0.28	0.2798
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0422	0.042
Onchocerca volvulus		0.0917	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0073	0.067	0.0668
Onchocerca volvulus	Bile acid receptor homolog	0.0073	0.067	0.0437
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0422	0.0422
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0034	0.0244	0.0242
Echinococcus multilocularis	FTZ F1 alpha	0.0073	0.067	0.0668
Schistosoma mansoni	thyroid hormone receptor	0.0073	0.067	0.067
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0039
Entamoeba histolytica	aldose reductase, putative	0.0917	1	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0039	0.0037
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0266	0.28	0.2798
Loa Loa (eye worm)	hypothetical protein	0.0315	0.335	0.335
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0299	0.1062
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0422	0.042
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0338	0.0337
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0039	0.0037
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0299	0.0297
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Entamoeba histolytica	aldose reductase, putative	0.0917	1	1
Brugia malayi	nuclear receptor RXR	0.0034	0.0244	0.0242
Brugia malayi	hypothetical protein	0.0034	0.0244	0.0242
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0034	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Trypanosoma brucei	prostaglandin f synthase	0.0917	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0917	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0422	0.042
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0034	0.0244	0.0242
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0119	0.118	0.1179
Brugia malayi	Muscleblind-like protein	0.0315	0.335	0.3349
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0266	0.28	0.2798
Brugia malayi	ecdysteroid receptor	0.0073	0.067	0.0668
Echinococcus granulosus	muscleblind protein	0.0315	0.335	0.3349
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0338	0.1203
Leishmania major	prostaglandin f synthase, putative	0.0917	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0422	0.0422
Onchocerca volvulus		0.0266	0.28	0.262
Onchocerca volvulus		0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0034	0.0244	0.0242
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0073	0.067	0.0668
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0073	0.067	0.0668
Loa Loa (eye worm)	oxidoreductase	0.0917	1	1
Echinococcus multilocularis	muscleblind protein	0.0315	0.335	0.3349
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0289	0.0288
Trichomonas vaginalis	aldo/keto reductase, putative	0.0917	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0917	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0039	0.0289	0.0288
Brugia malayi	ecdysone receptor	0.0034	0.0244	0.0242
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0073	0.067	0.0668
Schistosoma mansoni	nuclear hormone receptor	0.0073	0.067	0.067
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0299	0.0297
Schistosoma mansoni	hypothetical protein	0.0016	0.0039	0.0039
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0073	0.067	0.0668
Trypanosoma cruzi	aldo/keto reductase, putative	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0034	0.0244	0.0242
Schistosoma mansoni	potassium channel beta	0.0266	0.28	0.28
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Toxoplasma gondii	aldo-keto reductase	0.0266	0.28	0.2798
Echinococcus granulosus	voltage gated potassium channel subunit	0.0266	0.28	0.2798
Onchocerca volvulus		0.0917	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0244	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0002	0.0002
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0266	0.28	0.2798
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.1478	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Onchocerca volvulus		0.0917	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0073	0.067	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Echinococcus multilocularis	nuclear receptor nhr 48	0.0034	0.0244	0.0242
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0073	0.067	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0073	0.067	0.0668
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0266	0.28	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0289	0.0289
Onchocerca volvulus	Protein ultraspiracle homolog	0.0073	0.067	0.0437
Echinococcus multilocularis	aldo keto reductase	0.0917	1	1
Echinococcus granulosus	aldo keto reductase	0.0917	1	1
Schistosoma mansoni	nuclear receptor	0.0034	0.0244	0.0244
Mycobacterium ulcerans	oxidoreductase	0.0917	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0039	0.0037
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0266	0.28	0.2798
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0073	0.067	0.067
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0422	0.0422
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0039	0.0289	0.0288
Schistosoma mansoni	hypothetical protein	0.0034	0.0243	0.0243
Brugia malayi	Nuclear hormone receptor E75	0.0034	0.0244	0.0242
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0073	0.067	0.067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0419	0.0417
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Leishmania major	aldo-keto reductase-like protein	0.0917	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0073	0.067	0.067
Echinococcus granulosus	ecdysone induced protein 78C	0.0073	0.067	0.0668
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0073	0.067	0.0668
Trichomonas vaginalis	aldo-keto reductase, putative	0.0266	0.28	0.2798
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0584	0.632	0.632
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0266	0.28	0.2798
Loa Loa (eye worm)	hypothetical protein	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Schistosoma mansoni	RAR-like nuclear receptor	0.0073	0.067	0.067
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0073	0.067	0.0668
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.1433	0.1431
Brugia malayi	conserved hypotetical protein	0.0034	0.0244	0.0242
Echinococcus granulosus	FTZ F1 alpha	0.0073	0.067	0.0668
Loa Loa (eye worm)	hypothetical protein	0.005	0.0419	0.0419
Echinococcus granulosus	aldo keto reductase	0.0917	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0289	0.0288
Echinococcus granulosus	nuclear receptor nhr 48	0.0034	0.0244	0.0242
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0073	0.067	0.0668
Plasmodium vivax	aldehyde reductase, putative	0.0266	0.28	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0917	1	1
Entamoeba histolytica	aldose reductase, putative	0.0917	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0338	0.0337
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0073	0.067	0.0668
Loa Loa (eye worm)	oxidoreductase	0.0917	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0119	0.118	0.1179
Schistosoma mansoni	coup transcription factor	0.0073	0.067	0.067
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0073	0.067	0.067
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0073	0.067	0.0668
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0917	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0917	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0422	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0266	0.28	0.2798
Schistosoma mansoni	zinc finger protein	0.0034	0.0244	0.0244
Echinococcus granulosus	thyroid hormone receptor alpha	0.0034	0.0244	0.0242
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0073	0.067	0.0668
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.28	0.2798
Loa Loa (eye worm)	steroid hormone receptor	0.0073	0.067	0.067
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0289	0.0289
Schistosoma mansoni	nuclear receptor	0.0034	0.0244	0.0244
Brugia malayi	nuclear receptor RXR	0.0039	0.0289	0.0288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0073	0.067	0.067
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0422	0.042
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0073	0.067	0.0668
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0338	0.0337
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0073	0.067	0.067
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0034	0.0244	0.0242
Brugia malayi	Nuclear hormone receptor E75	0.0034	0.0244	0.0242
Schistosoma mansoni	thyroid hormone receptor	0.0073	0.067	0.067
Loa Loa (eye worm)	DR-78	0.0034	0.0244	0.0244
Plasmodium falciparum	aldehyde reductase, putative	0.0266	0.28	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0338	0.0337
Echinococcus multilocularis	muscleblind protein 1	0.0315	0.335	0.3349
Schistosoma mansoni	aldo-keto reductase	0.0917	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0917	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0244	0.0244
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0244	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0073	0.067	0.067
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0039	0.0037
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0917	1	1

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)	= 5.63 %	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)	= 6 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 7.44 %	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)	= 9.58 %	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)	= 44 %	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)	= 98 %	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)	= 2.86	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -2 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 6 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 44 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 98 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.14	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.71743 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: CHEMBL587146
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 596764