TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 945.181 | Formula: C49H84O17
H donors: 3 H acceptors: 4 LogP: 5.01 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H]1CC[C@@H](O[C@@H]1C)O[C@H]1[C@H](C)[C@](O)(O[C@H]([C@]1(C)OC)C[C@@H]1C[C@@H](OC)[C@H]([C@]2(O1)O[C@]([C@@H]([C@H]2C)OC)(C)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H]1O[C@](C)(O)[C@@H]([C@H]([C@@H]1C)OC)C)C)[C@H](C(=O)O)C
InChi: 1S/C49H84O17/c1-24-40(56-13)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)42(57-14)28(5)49(66-46)25(2)36(55-12)22-31(63-49)23-38-45(8,58-15)43(27(4)48(53,64-38)29(6)44(50)51)62-39-21-19-32(54-11)30(7)59-39/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,45-,46+,47-,48-,49-/m0/s1
InChiKey: RHDSQRNKIIRGBB-IMLQASJLSA-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 multilocularis	metabotropic glutamate receptor 5	0.00606157	0.00581847	0.0149406
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.00976	0.010405	0.0267178
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.00594704	0.00567645	0.147455
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0324118	0.0384961	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.315403	0.389441	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.00492377	0.00440746	0.00440746
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus multilocularis	nAChR subunit	0.00254257	0.00145446	0.00373475
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.00976	0.010405	0.0267178
Echinococcus granulosus	nuclear receptor nhr 48	0.00531023	0.00488672	0.012548
Brugia malayi	hypothetical protein	0.00594704	0.00567645	0.00567645
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Echinococcus granulosus	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	LGC-31 protein	0.00254257	0.00145446	0.0377821
Plasmodium falciparum	dihydroorotate dehydrogenase	0.807738	1	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.00976	0.010405	0.0267178
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.00254257	0.00145446	0.00373475
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.00254257	0.00145446	0.0377821
Brugia malayi	Cation transporter family protein	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	nuclear receptor	0.00531023	0.00488672	0.00488672
Brugia malayi	Nuclear hormone receptor E75	0.00531023	0.00488672	0.00488672
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.00976	0.010405	0.270287
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0315041	0.0373704	0.0959591
Brugia malayi	tailless protein	0.00531023	0.00488672	0.00488672
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.00976	0.010405	0.0267178
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.00254257	0.00145446	0.00373475
Brugia malayi	nuclear receptor NHR-88	0.00531023	0.00488672	0.00488672
Brugia malayi	Nuclear hormone receptor-like 1	0.00594704	0.00567645	0.00567645
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0112573	0.0122618	0.318521
Echinococcus granulosus	FTZ F1 alpha	0.0112573	0.0122618	0.0314857
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	FFA transport protein	0.0315041	0.0373704	0.0373704
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00594704	0.00567645	0.00567645
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.00976	0.010405	0.0267178
Echinococcus granulosus	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0112573	0.0122618	0.0122618
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00594704	0.00567645	0.147455
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.00254257	0.00145446	0.00145446
Brugia malayi	nuclear hormone receptor	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0112573	0.0122618	0.0314857
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0112573	0.0122618	0.0314857
Brugia malayi	AMP-binding enzyme family protein	0.0324118	0.0384961	0.0384961
Loa Loa (eye worm)	hypothetical protein	0.00594704	0.00567645	0.147455
Loa Loa (eye worm)	hypothetical protein	0.00594704	0.00567645	0.147455
Echinococcus granulosus	Nuclear hormone receptor HR96	0.00531023	0.00488672	0.012548
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.00531023	0.00488672	0.00488672
Brugia malayi	orphan nuclear receptor NR2E1	0.00531023	0.00488672	0.00488672
Brugia malayi	hypothetical protein	0.00531023	0.00488672	0.00488672
Brugia malayi	ecdysteroid receptor	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	coup transcription factor	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	nuclear receptor nhr-48	0.00531023	0.00488672	0.00488672
Brugia malayi	nuclear receptor NHR-67	0.00531023	0.00488672	0.00488672
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.00531023	0.00488672	0.00488672
Schistosoma mansoni	dihydroorotate dehydrogenase	0.807738	1	1
Brugia malayi	nuclear receptor RXR	0.00594704	0.00567645	0.00567645
Loa Loa (eye worm)	nuclear receptor NHR-67	0.00531023	0.00488672	0.126941
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.315403	0.389441	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044608	0.00383332	0.00383332
Brugia malayi	steroid hormone receptor	0.0112573	0.0122618	0.0122618
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.315403	0.389441	1
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.807738	1	0.5
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.807738	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00531023	0.00488672	0.012548
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0112573	0.0122618	0.318521
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.807738	1	1
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Loa Loa (eye worm)	glutamate receptor	0.00492377	0.00440746	0.114491
Echinococcus granulosus	ecdysone induced protein 78C	0.0112573	0.0122618	0.0314857
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.00254257	0.00145446	0.00145446
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0112573	0.0122618	0.0122618
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.00976	0.010405	0.010405
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	metabotropic glutamate receptor	0.00239993	0.00127758	0.00127758
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.00531023	0.00488672	0.012548
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	nuclear hormone receptor	0.00531023	0.00488672	0.00488672
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0112573	0.0122618	0.0314857
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	nuclear hormone receptor	0.00531023	0.00488672	0.00488672
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	retinoic acid receptor RXR	0.0112573	0.0122618	0.0122618
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.00531023	0.00488672	0.126941
Schistosoma mansoni	RAR-like nuclear receptor	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.00254257	0.00145446	0.00373475
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0315041	0.0373704	0.0959591
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	nuclear hormone receptor	0.00531023	0.00488672	0.126941
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0112573	0.0122618	0.0314857
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0112573	0.0122618	0.0122618
Brugia malayi	excitatory GABA receptor EXP-1A	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus multilocularis	FTZ F1 alpha	0.0112573	0.0122618	0.0314857
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0112573	0.0122618	0.0122618
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.807738	1	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.00254257	0.00145446	0.00373475
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0112573	0.0122618	0.0122618
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.00594704	0.00567645	0.0145759
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0324118	0.0384961	0.000879794
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0112573	0.0122618	0.318521
Echinococcus granulosus	nAChR subunit	0.00254257	0.00145446	0.00373475
Brugia malayi	nuclear receptor RXR	0.00531023	0.00488672	0.00488672
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	steroid hormone receptor	0.0112573	0.0122618	0.318521
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Loa Loa (eye worm)	ACC-1 protein	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	thyroid hormone receptor	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	metabotropic glutamate receptor 5	0.00606157	0.00581847	0.0149406
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.00254257	0.00145446	0.00373475
Brugia malayi	photoreceptor-specific nuclear receptor	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.00254257	0.00145446	0.00373475
Onchocerca volvulus		0.00531023	0.00488672	0.398531
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0112573	0.0122618	0.318521
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Brugia malayi	nuclear hormone receptor family member odr-7	0.00531023	0.00488672	0.00488672
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0112573	0.0122618	0.0314857
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.807738	1	0.5
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.5
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.807738	1	1
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0112573	0.0122618	0.0122618
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.00531023	0.00488672	0.012548
Brugia malayi	hypothetical protein	0.00531023	0.00488672	0.00488672
Brugia malayi	metabotropic glutamate receptor type 2	0.00239993	0.00127758	0.00127758
Echinococcus multilocularis	nuclear receptor nhr 48	0.00531023	0.00488672	0.012548
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.00254257	0.00145446	0.00145446
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.807738	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0112573	0.0122618	0.0314857
Brugia malayi	nuclear hormone receptor	0.00531023	0.00488672	0.00488672
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Brugia malayi	conserved hypotetical protein	0.00531023	0.00488672	0.00488672
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.00254257	0.00145446	0.00373475
Echinococcus multilocularis	ecdysone induced protein 78C	0.0112573	0.0122618	0.0314857
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.00254257	0.00145446	0.00145446
Echinococcus multilocularis	glycine receptor subunit beta	0.00254257	0.00145446	0.00373475
Loa Loa (eye worm)	DR-78	0.00531023	0.00488672	0.126941
Brugia malayi	Nuclear hormone receptor E75	0.00531023	0.00488672	0.00488672
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Loa Loa (eye worm)	hypothetical protein	0.00606157	0.00581847	0.151144
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.00976	0.010405	0.0267178
Brugia malayi	Nuclear hormone receptor-like 1	0.00594704	0.00567645	0.00567645
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0112573	0.0122618	0.0314857
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0112573	0.0122618	0.0122618
Onchocerca volvulus	Protein ultraspiracle homolog	0.0112573	0.0122618	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.00254257	0.00145446	0.00145446
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041246	0.00341639	0.00877255
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.00976	0.010405	0.270287
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.00531023	0.00488672	0.012548
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00594704	0.00567645	0.147455
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0112573	0.0122618	0.318521
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.807738	1	0.5
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.5
Schistosoma mansoni	metabotropic glutamate receptor	0.0041246	0.00341639	0.00341639
Leishmania major	dihydroorotate dehydrogenase	0.807738	1	1
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0112573	0.0122618	0.318521
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.00531023	0.00488672	0.012548
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.00594704	0.00567645	0.00567645
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0112573	0.0122618	0.0122618
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.315403	0.389441	1
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Brugia malayi	ecdysone receptor	0.00531023	0.00488672	0.00488672
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0112573	0.0122618	0.0122618
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00531023	0.00488672	0.012548
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.00254257	0.00145446	0.00373475
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0112573	0.0122618	0.0314857
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.315403	0.389441	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041246	0.00341639	0.00877255
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0112573	0.0122618	0.0314857
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	glycine receptor subunit beta	0.00254257	0.00145446	0.00373475
Brugia malayi	Cation transporter family protein	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Loa Loa (eye worm)	ACC-1 protein	0.00254257	0.00145446	0.0377821
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.00531023	0.00488672	0.00488672
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus granulosus	thyroid hormone receptor alpha	0.00531023	0.00488672	0.012548
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.00531023	0.00488672	0.012548
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0317291	0.0376494	0.000369052
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.00594704	0.00567645	0.0145759
Echinococcus multilocularis	glycine receptor subunit beta	0.00254257	0.00145446	0.00373475
Onchocerca volvulus		0.0112573	0.0122618	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.00531023	0.00488672	0.398531
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0112573	0.0122618	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.00254257	0.00145446	0.00145446
Onchocerca volvulus	Putative nachr subunit	0.00976	0.010405	0.84857
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0112573	0.0122618	0.0314857
Loa Loa (eye worm)	hypothetical protein	0.00594704	0.00567645	0.147455
Loa Loa (eye worm)	glutamate receptor	0.00193696	0.000703439	0.018273
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0112573	0.0122618	0.0122618
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0112573	0.0122618	0.0314857
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0112573	0.0122618	0.0314857
Brugia malayi	nuclear hormone receptor family member nhr-6	0.00531023	0.00488672	0.00488672
Brugia malayi	Nuclear hormone receptor-like 1	0.0112573	0.0122618	0.0122618
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	nuclear hormone receptor	0.0112573	0.0122618	0.0122618
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.807738	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Onchocerca volvulus	Bile acid receptor homolog	0.0112573	0.0122618	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.807738	1	1
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.00254257	0.00145446	0.00145446
Schistosoma mansoni	nuclear receptor	0.00531023	0.00488672	0.00488672
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.00531023	0.00488672	0.398531
Echinococcus granulosus	Nuclear hormone receptor HR96	0.00531023	0.00488672	0.012548
Schistosoma mansoni	nAChR subunit	0.00254257	0.00145446	0.00145446
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.315403	0.389441	1
Loa Loa (eye worm)	hypothetical protein	0.00254257	0.00145446	0.0377821
Echinococcus granulosus	glycine receptor subunit alpha 1	0.00254257	0.00145446	0.00373475
Loa Loa (eye worm)	hypothetical protein	0.00531023	0.00488672	0.126941
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.00254257	0.00145446	0.00145446
Brugia malayi	Cation transporter family protein	0.00254257	0.00145446	0.00145446
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.315403	0.389441	0.365738
Brugia malayi	hypothetical protein	0.00594704	0.00567645	0.00567645
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0112573	0.0122618	0.0314857
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.807738	1	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.00254257	0.00145446	0.00373475
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0055986	0.00524433	0.00524433
Loa Loa (eye worm)	hypothetical protein	0.0112573	0.0122618	0.318521
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0112573	0.0122618	0.0314857
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.00254257	0.00145446	0.00145446
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0112573	0.0122618	0.318521
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.807738	1	1
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Brugia malayi	nuclear receptor NHR-88	0.0112573	0.0122618	0.0122618
Brugia malayi	Steroid receptor seven-up type 2	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	thyroid hormone receptor	0.0112573	0.0122618	0.0122618
Schistosoma mansoni	zinc finger protein	0.00531023	0.00488672	0.00488672
Onchocerca volvulus		0.00531023	0.00488672	0.398531
Onchocerca volvulus		0.00254257	0.00145446	0.118617
Echinococcus granulosus	glycine receptor subunit beta	0.00254257	0.00145446	0.00373475
Brugia malayi	Zinc finger, C2H2 type family protein	0.315403	0.389441	0.389441
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0112573	0.0122618	0.0122618

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 2.422 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	= 2.422 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.001926 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 0.00193 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.01332 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.01332 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0.15517	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL602176
Search by Novartis-GNF Malaria Box

Bibliographic References

No literature references available for this target.

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Detailed information for compound 608634