TDR Targets

Basic information

Technical information

TDR Targets ID: 1846827
Name: 1-[(5R,6R,7R,9R)-4-amino-6-(tert-butyl-dimeth ylsilyl)oxy-9-[(tert-butyl-dimethylsilyl)oxym ethyl]-2,2-dioxo-1,8-dioxa-2$l^{6}-thiaspiro[ 4.4]non-3-en-7-yl]-4-dimethylaminopyrimidin-2 -one
MW: 602.891 | Formula: C25H46N4O7SSi2
H donors: 1 H acceptors: 3 LogP: 2.98 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: NC1=CS(=O)(=O)O[C@]21[C@@H](CO[Si](C(C)(C)C)(C)C)O[C@H]([C@@H]2O[Si](C(C)(C)C)(C)C)n1ccc(nc1=O)N(C)C
InChi: 1S/C25H46N4O7SSi2/c1-23(2,3)38(9,10)33-15-18-25(17(26)16-37(31,32)36-25)20(35-39(11,12)24(4,5)6)21(34-18)29-14-13-19(28(7)8)27-22(29)30/h13-14,16,18,20-21H,15,26H2,1-12H3/t18-,20+,21-,25-/m1/s1
InChiKey: PJQDHRZLBLAEJU-AFPVUDKHSA-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

1-[(5R,6R,7R,9R)-4-amino-6-(tert-butyl-dimethyl-silyl)oxy-9-[(tert-butyl-dimethyl-silyl)oxymethyl]-2,2-dioxo-1,8-dioxa-2$l^{6}-thiaspiro[4.4]non-3-en-7-yl]-4-dimethylamino-pyrimidin-2-one
1-[(5R,6R,7R,9R)-4-amino-6-(tert-butyl-dimethylsilyl)oxy-9-[(tert-butyl-dimethylsilyl)oxymethyl]-2,2-dioxo-1,8-dioxa-2$l^{6}-thiaspiro[4.4]non-3-en-7-yl]-4-dimethylamino-2-pyrimidinone
1-[(5R,6R,7R,9R)-4-amino-6-(tert-butyl-dimethyl-silyl)oxy-9-[(tert-butyl-dimethyl-silyl)oxymethyl]-2,2-diketo-1,8-dioxa-2$l^{6}-thiaspiro[4.4]non-3-en-7-yl]-4-dimethylamino-pyrimidin-2-one

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
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0336	0.2002
Brugia malayi	hypothetical protein	0.012	0.1772	0.1772
Schistosoma mansoni	RAR-like nuclear receptor	0.0228	0.433	0.7786
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0135	0.2107	0.2107
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.1678	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.14	0.8342
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0228	0.433	0.433
Brugia malayi	photoreceptor-specific nuclear receptor	0.0228	0.433	0.433
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Echinococcus granulosus	survival motor neuron protein 1	0.0467	1	1
Brugia malayi	CHE-14 protein	0.0055	0.0224	0.0224
Trichomonas vaginalis	glucosylceramidase, putative	0.0174	0.3034	0.5303
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0063	0.0408	0.0347
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0228	0.433	0.433
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0228	0.433	0.433
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0095	0.117	0.117
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0108	0.1465	0.1465
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0108	0.1465	0.1465
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.0134	0.0134
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Brugia malayi	steroid hormone receptor	0.0228	0.433	0.433
Brugia malayi	nuclear receptor RXR	0.012	0.1772	0.1772
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0135	0.2107	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0336	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Echinococcus multilocularis	sterol regulatory element binding protein	0.0055	0.0224	0.0224
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.012	0.1772	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0228	0.433	0.433
Brugia malayi	Nuclear hormone receptor-like 1	0.012	0.1772	0.1772
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0228	0.433	0.433
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0228	0.433	0.433
Brugia malayi	hypothetical protein	0.0108	0.1465	0.1465
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0228	0.433	0.433
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0228	0.433	0.433
Onchocerca volvulus	Glucosylceramidase homolog	0.0165	0.2823	0.6409
Schistosoma mansoni	patched 1	0.0055	0.0224	0.0168
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0228	0.433	0.433
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0228	0.433	0.433
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.0134	0.0134
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Brugia malayi	glutaminase DH11.1	0.0278	0.5523	0.5523
Schistosoma mansoni	hypothetical protein	0.0167	0.2869	0.5076
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Schistosoma mansoni	hypothetical protein	0.0095	0.117	0.1922
Brugia malayi	nuclear hormone receptor	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0108	0.1465	0.3173
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.14	0.8342
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0108	0.1465	0.1465
Loa Loa (eye worm)	steroid hormone receptor	0.0228	0.433	0.433
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Trichomonas vaginalis	glutaminase, putative	0.0278	0.5523	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0228	0.433	0.433
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0063	0.0408	0.0347
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0224	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Echinococcus multilocularis	serotonin receptor	0.0118	0.1706	0.1706
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0108	0.1465	0.3173
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0228	0.433	0.433
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0108	0.1465	0.2471
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Echinococcus granulosus	ecdysone induced protein 78C	0.0228	0.433	0.433
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0135	0.2107	1
Echinococcus granulosus	peroxidasin	0.0052	0.0134	0.0134
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0108	0.1465	0.1465
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0228	0.433	0.433
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0228	0.433	0.7786
Mycobacterium tuberculosis	Probable reductase	0.0105	0.14	0.8342
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0135	0.2107	0.2107
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0108	0.1465	0.1465
Onchocerca volvulus	Bile acid receptor homolog	0.0228	0.433	1
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.0134	0.0134
Echinococcus granulosus	FTZ F1 alpha	0.0228	0.433	0.433
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0055	0.0224	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Schistosoma mansoni	nuclear receptor	0.0108	0.1465	0.2471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0228	0.433	0.433
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0055	0.0224	0.0168
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0228	0.433	0.433
Brugia malayi	nuclear receptor RXR	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.0134	0.0134
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0228	0.433	0.433
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.012	0.1772	0.304
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0135	0.2107	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.012	0.1772	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Schistosoma mansoni	coup transcription factor	0.0228	0.433	0.7786
Echinococcus multilocularis	ecdysone induced protein 78C	0.0228	0.433	0.433
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0228	0.433	0.433
Echinococcus multilocularis	peroxidasin	0.0052	0.0134	0.0134
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Brugia malayi	Blistered cuticle protein 3	0.0052	0.0134	0.0134
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.14	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.012	0.1772	0.304
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1706	0.1706
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.1678	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0336	0.0336
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0228	0.433	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0108	0.1465	0.2471
Schistosoma mansoni	thyroid hormone receptor	0.0228	0.433	0.7786
Echinococcus granulosus	Protein patched homolog 1	0.0055	0.0224	0.0224
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0228	0.433	0.433
Brugia malayi	hypothetical protein	0.012	0.1772	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Plasmodium falciparum	thioredoxin reductase	0.0046	0	0.5
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0063	0.0408	0.0347
Brugia malayi	Nuclear hormone receptor-like 1	0.0228	0.433	0.433
Loa Loa (eye worm)	blistered cuticle protein 3	0.0052	0.0134	0.0134
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0108	0.1465	0.1465
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0228	0.433	0.433
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0336	1
Brugia malayi	Nuclear hormone receptor E75	0.0108	0.1465	0.1465
Loa Loa (eye worm)	glutaminase 2	0.0278	0.5523	0.5523
Echinococcus multilocularis	FTZ F1 alpha	0.0228	0.433	0.433
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0228	0.433	0.433
Mycobacterium ulcerans	glutaminase	0.0278	0.5523	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0228	0.433	0.7786
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0063	0.0408	0.5
Brugia malayi	hypothetical protein	0.0108	0.1465	0.1465
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0228	0.433	0.433
Echinococcus multilocularis	nuclear receptor nhr 48	0.0108	0.1465	0.1465
Loa Loa (eye worm)	DR-78	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.4876	0.4876
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0108	0.1465	0.1465
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.1678	1
Schistosoma mansoni	nuclear receptor	0.0108	0.1465	0.2471
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0336	0.0375
Schistosoma mansoni	hypothetical protein	0.0167	0.2869	0.5076
Brugia malayi	orphan nuclear receptor NR2E1	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0228	0.433	0.433
Brugia malayi	Nuclear hormone receptor E75	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Brugia malayi	ecdysteroid receptor	0.0228	0.433	0.433
Schistosoma mansoni	zinc finger protein	0.0108	0.1465	0.2471
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0228	0.433	0.433
Loa Loa (eye worm)	nuclear hormone receptor	0.0108	0.1465	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Echinococcus granulosus	Niemann Pick C1 protein	0.0055	0.0224	0.0224
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0228	0.433	0.7786
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0228	0.433	0.433
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.14	0.8342
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0228	0.433	0.433
Plasmodium falciparum	glutathione reductase	0.0046	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0228	0.433	0.433
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Schistosoma mansoni	glutaminase	0.0278	0.5523	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0336	0.0336
Trichomonas vaginalis	glucosylceramidase, putative	0.0174	0.3034	0.5303
Brugia malayi	hypothetical protein	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Loa Loa (eye worm)	hypothetical protein	0.012	0.1772	0.1772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0228	0.433	0.433
Plasmodium vivax	glutathione reductase, putative	0.0046	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.012	0.1772	0.1772
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0228	0.433	0.7786
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0228	0.433	0.7786
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0135	0.2107	0.2107
Echinococcus multilocularis	protein patched	0.0055	0.0224	0.0224
Onchocerca volvulus		0.0228	0.433	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.1772	0.1772
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0228	0.433	0.433
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0228	0.433	0.433
Brugia malayi	nuclear hormone receptor	0.0228	0.433	0.433
Loa Loa (eye worm)	hypothetical protein	0.0228	0.433	0.433
Loa Loa (eye worm)	hypothetical protein	0.012	0.1772	0.1772
Echinococcus granulosus	biogenic amine 5HT receptor	0.0118	0.1706	0.1706
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0108	0.1465	0.1465
Schistosoma mansoni	nuclear hormone receptor	0.0108	0.1465	0.2471
Brugia malayi	ecdysone receptor	0.0108	0.1465	0.1465
Brugia malayi	nuclear receptor NHR-67	0.0108	0.1465	0.1465
Echinococcus granulosus	geminin	0.0167	0.2869	0.2869
Schistosoma mansoni	nuclear hormone receptor	0.0108	0.1465	0.2471
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0228	0.433	0.433
Brugia malayi	nuclear receptor NHR-88	0.0108	0.1465	0.1465
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0108	0.1465	0.1465
Echinococcus multilocularis	survival motor neuron protein 1	0.0467	1	1
Echinococcus multilocularis	serotonin receptor	0.0118	0.1706	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Schistosoma mansoni	retinoic acid receptor RXR	0.0228	0.433	0.7786
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0224	0.0224
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0228	0.433	0.433
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.14	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.4876	0.4876
Brugia malayi	Steroid receptor seven-up type 2	0.0228	0.433	0.433
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.4876	0.8778
Echinococcus granulosus	thyroid hormone receptor alpha	0.0108	0.1465	0.1465
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0108	0.1465	0.1465
Onchocerca volvulus		0.0108	0.1465	0.3173
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0228	0.433	0.433
Loa Loa (eye worm)	glutaminase	0.0278	0.5523	0.5523
Echinococcus granulosus	sterol regulatory element binding protein	0.0055	0.0224	0.0224
Onchocerca volvulus		0.0095	0.117	0.2469
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0228	0.433	0.433
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0135	0.2107	0.2107
Echinococcus multilocularis	geminin	0.0167	0.2869	0.2869
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.2823	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1465	0.1465
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0108	0.1465	0.1465
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0135	0.2107	0.3414
Loa Loa (eye worm)	hypothetical protein	0.012	0.1772	0.1772
Schistosoma mansoni	nuclear hormone receptor	0.0228	0.433	0.7786
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0118	0.1706	0.2917
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0228	0.433	0.7786
Brugia malayi	nuclear hormone receptor family member odr-7	0.0108	0.1465	0.1465
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0336	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Echinococcus granulosus	nuclear receptor nhr 48	0.0108	0.1465	0.1465
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0135	0.2107	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1706	0.1706
Onchocerca volvulus		0.0108	0.1465	0.3173
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Brugia malayi	Peroxidasin	0.0052	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.012	0.1772	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0467	1	1
Schistosoma mansoni	survival motor neuron protein	0.0095	0.117	0.1922
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Schistosoma mansoni	thyroid hormone receptor	0.0228	0.433	0.7786
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Echinococcus multilocularis	Niemann Pick C1 protein	0.0055	0.0224	0.0224
Brugia malayi	conserved hypotetical protein	0.0108	0.1465	0.1465
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0228	0.433	0.433
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0108	0.1465	0.1465
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.012	0.1772	0.1772
Brugia malayi	tailless protein	0.0108	0.1465	0.1465
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0228	0.433	0.7786
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0135	0.2107	0.366
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0134	0.0134
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0108	0.1465	0.2471
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.1678	1
Brugia malayi	nuclear receptor NHR-88	0.0228	0.433	0.433
Onchocerca volvulus	Protein ultraspiracle homolog	0.0228	0.433	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.75 uM	Effective concentration of the compound against HIV-1 induced cytopathicity in CEM cells	ChEMBL.	7509877
EC50 (functional)	> 166 uM	Effective concentration of the compound against HIV-2 induced cytopathicity in CEM cells	ChEMBL.	7509877

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	7509877

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: CHEMBL3143202

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1846827