TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.516 | Formula: C26H21F3N2O4S
H donors: 1 H acceptors: 4 LogP: 5.14 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: NC(=O)c1cnc2c(c1c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C(C)C)cccc2C(F)(F)F
InChi: 1S/C26H21F3N2O4S/c1-15(2)36(33,34)19-9-4-8-18(13-19)35-17-7-3-6-16(12-17)23-20-10-5-11-22(26(27,28)29)24(20)31-14-21(23)25(30)32/h3-15H,1-2H3,(H2,30,32)
InChiKey: BYZAOZSASXJAQT-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear receptor subfamily 1, group H, member 3	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 1, group H, member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	nuclear receptor subfamily 1, group H, member 3	387 aa	321 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0016	0.0034	0.0122
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.0034	0.0034
Brugia malayi	hypothetical protein	0.0028	0.0183	0.066
Brugia malayi	ecdysone receptor	0.0016	0.0034	0.0122
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0044	0.0389	0.3595
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0026	0.0162	1
Treponema pallidum	heat shock protein 90	0.0026	0.0162	1
Schistosoma mansoni	hypothetical protein	0.004	0.0339	0.3132
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0073	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0452
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0454	0.2852
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0125	0.7037
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0044	0.0389	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0017	0.005	0.0181
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0044	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Toxoplasma gondii	heat shock protein 90, putative	0.0033	0.0248	1
Echinococcus multilocularis	expressed conserved protein	0.009	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0183	0.066
Schistosoma mansoni	zinc finger protein	0.0016	0.0034	0.0313
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0016	0.0034	0.0213
Brugia malayi	Nuclear hormone receptor-like 1	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Schistosoma mansoni	endoplasmin	0.0033	0.0248	0.2289
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.005	0.203
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0016	0.0034	0.0122
Brugia malayi	CHE-14 protein	0.0041	0.0358	0.1289
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.0389	0.2442
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0125	0.5065
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.1593	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0454	0.0454
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0125	0.6715
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1063	0.3828
Toxoplasma gondii	heat shock protein HSP90	0.0033	0.0248	1
Echinococcus multilocularis	heat shock protein	0.0033	0.0248	0.0248
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0044	0.0389	0.3595
Brugia malayi	nuclear hormone receptor family member odr-7	0.0016	0.0034	0.0122
Plasmodium vivax	endoplasmin, putative	0.0033	0.0248	1
Plasmodium falciparum	heat shock protein 90	0.0033	0.0248	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0026	0.0162	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0073	0.2817
Schistosoma mansoni	RAR-like nuclear receptor	0.0044	0.0389	0.3595
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.6715
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.005	0.5
Echinococcus granulosus	heat shock protein	0.0033	0.0248	0.1555
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0016	0.0034	0.0122
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0358	0.0358
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0073	0.2042
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0044	0.0389	0.2442
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0073	0.2951
Brugia malayi	Steroid receptor seven-up type 2	0.0044	0.0389	0.1401
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0073	0.0459
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0034	0.0213
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0044	0.0389	0.1401
Mycobacterium ulcerans	heat shock protein 90	0.0026	0.0162	1
Toxoplasma gondii	exonuclease III APE	0.0019	0.0073	0.2951
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0016	0.0034	0.0313
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.0162	0.655
Loa Loa (eye worm)	endoplasmin	0.0033	0.0248	0.0892
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0125	0.5065
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0044	0.0389	0.2442
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0044	0.0389	0.3595
Echinococcus multilocularis	FTZ F1 alpha	0.0044	0.0389	0.0389
Brugia malayi	tailless protein	0.0016	0.0034	0.0122
Loa Loa (eye worm)	hypothetical protein	0.005	0.0477	0.1719
Schistosoma mansoni	ap endonuclease	0.0019	0.0073	0.0675
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0044	0.0389	0.1401
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0125	0.6715
Onchocerca volvulus	Bile acid receptor homolog	0.0229	0.2777	1
Schistosoma mansoni	coup transcription factor	0.0044	0.0389	0.3595
Plasmodium falciparum	endoplasmin, putative	0.002	0.0085	0.345
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.1063	0.1063
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0452
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0033	0.0248	1
Schistosoma mansoni	hypothetical protein	0.004	0.0339	0.3132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0454	0.4198
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Brugia malayi	orphan nuclear receptor NR2E1	0.0016	0.0034	0.0122
Schistosoma mansoni	thyroid hormone receptor	0.0044	0.0389	0.3595
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0044	0.0389	0.1401
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0454	0.4198
Schistosoma mansoni	ap endonuclease	0.0019	0.0073	0.0675
Brugia malayi	hypothetical protein	0.0016	0.0034	0.0122
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.6715
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0016	0.0034	0.0313
Brugia malayi	nuclear receptor NHR-67	0.0016	0.0034	0.0122
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0073	0.2039
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0125	0.5065
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0033	0.0248	1
Brugia malayi	nuclear receptor NHR-88	0.0044	0.0389	0.1401
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1463	0.5266
Schistosoma mansoni	heat shock protein	0.0033	0.0248	0.2289
Echinococcus granulosus	endoplasmin	0.0026	0.0162	0.1018
Echinococcus granulosus	nuclear receptor nhr 48	0.0016	0.0034	0.0213
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0034	0.0122
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0162	0.4531
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0073	0.2951
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.005	0.0978
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0044	0.0389	0.1401
Schistosoma mansoni	retinoic acid receptor RXR	0.0044	0.0389	0.3595
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0076	0.3058
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0358	0.1289
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0044	0.0389	0.0389
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.1063	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0044	0.0389	0.3595
Schistosoma mansoni	nuclear receptor	0.0016	0.0034	0.0313
Brugia malayi	nuclear receptor RXR	0.0016	0.0034	0.0122
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Trypanosoma brucei	Heat shock protein 83, putative	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0183	0.066
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0044	0.0389	0.1401
Onchocerca volvulus		0.0023	0.0125	0.0452
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0358	0.1289
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0125	0.6715
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0358	1
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0044	0.0389	0.0389
Echinococcus granulosus	thyroid hormone receptor alpha	0.0016	0.0034	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0017	0.005	0.0181
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Echinococcus multilocularis	protein patched	0.0041	0.0358	0.0358
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0044	0.0389	0.1401
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Plasmodium vivax	heat shock protein 86, putative	0.0033	0.0248	1
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0034	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.1063	0.3828
Schistosoma mansoni	heat shock protein	0.0033	0.0248	0.2289
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0026	0.0162	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0044	0.0389	0.1401
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0073	0.0263
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0454	0.4198
Schistosoma mansoni	endoplasmin	0.0033	0.0248	0.2289
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0044	0.0389	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0452
Onchocerca volvulus	Protein ultraspiracle homolog	0.0044	0.0389	0.1401
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0073	0.2951
Brugia malayi	MH2 domain containing protein	0.0127	0.1463	0.5266
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0026	0.0162	0.1018
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0248	1
Echinococcus granulosus	heat shock protein 90	0.0026	0.0162	0.1018
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.1063	0.6673
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0028	0.0183	0.1694
Echinococcus multilocularis	heat shock protein 90	0.0026	0.0162	0.0162
Brugia malayi	nuclear receptor RXR	0.0028	0.0183	0.066
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0162	0.655
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2777	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0183	0.066
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0044	0.0389	0.3595
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0028	0.0183	0.0183
Brugia malayi	hypothetical protein	0.0028	0.0183	0.066
Brugia malayi	nuclear hormone receptor	0.0044	0.0389	0.1401
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0034	0.0313
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0044	0.0389	0.1401
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Trichomonas vaginalis	endoplasmin, putative	0.002	0.0085	0.2387
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0073	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0044	0.0389	0.1401
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Echinococcus granulosus	heat shock protein 90	0.0033	0.0248	0.1555
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0044	0.0389	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0044	0.0389	0.0389
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0034	0.0313
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0044	0.0389	0.3595
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.0389	0.0389
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0183	0.066
Brugia malayi	hypothetical protein	0.0016	0.0034	0.0122
Onchocerca volvulus		0.0016	0.0034	0.0122
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0044	0.0389	0.1401
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0016	0.0034	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0044	0.0389	0.1401
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0433	0.0433
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0034	0.0034
Echinococcus multilocularis	endoplasmin	0.0026	0.0162	0.0162
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0026	0.0162	0.5105
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0073	0.0073
Brugia malayi	nuclear receptor NHR-88	0.0016	0.0034	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0044	0.0389	0.1401
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0028	0.0183	0.066
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Brugia malayi	nuclear hormone receptor	0.0016	0.0034	0.0122
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.005	0.203
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Leishmania major	heat shock protein 83-1	0.0033	0.0248	1
Schistosoma mansoni	hypothetical protein	0.004	0.0339	0.3132
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0162	0.4531
Loa Loa (eye worm)	hypothetical protein	0.0017	0.005	0.0181
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0454	0.1636
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0073	0.2951
Brugia malayi	conserved hypotetical protein	0.0016	0.0034	0.0122
Brugia malayi	ecdysteroid receptor	0.0229	0.2777	1
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0452
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0026	0.0162	0.655
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0454	0.1636
Loa Loa (eye worm)	DR-78	0.0016	0.0034	0.0122
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.0389	0.3595
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0248	0.6918
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0248	1
Schistosoma mansoni	hypothetical protein	0.004	0.0339	0.3132
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.0034	0.0213
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0073	0.2042
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.6715
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0248	0.233
Echinococcus granulosus	expressed conserved protein	0.009	0.0988	0.6203
Giardia lamblia	Grp94/Hsp90	0.0026	0.0162	0.5105
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0358	0.2248
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0073	0.2951
Brugia malayi	Endoplasmin precursor	0.0033	0.0248	0.0892
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0044	0.0389	0.1401
Schistosoma mansoni	nuclear receptor nhr-48	0.0016	0.0034	0.0313
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0125	0.118
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0183	0.066
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0454	0.0454
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1463	0.5266
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0044	0.0389	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Echinococcus multilocularis	heat shock protein 90	0.0033	0.0248	0.0248
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0016	0.0034	0.0122
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.0389	0.2442
Brugia malayi	heat shock protein 90	0.0033	0.0248	0.0892
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0125	0.6715
Loa Loa (eye worm)	heat shock protein 90	0.0033	0.0248	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0017	0.005	0.0181
Echinococcus multilocularis	ecdysone induced protein 78C	0.0044	0.0389	0.0389
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0044	0.0389	0.1401
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.1082	1
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0162	0.4531
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0125	0.118
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0044	0.0389	0.3595
Schistosoma mansoni	nuclear receptor	0.0016	0.0034	0.0313
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0454	0.2852
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0183	0.066
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0125	0.118
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0016	0.0034	0.0034
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0248	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0044	0.0389	0.1401
Echinococcus granulosus	ecdysone induced protein 78C	0.0044	0.0389	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0452
Echinococcus granulosus	FTZ F1 alpha	0.0044	0.0389	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0034	0.0122
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0248	0.233
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0044	0.0389	0.1401
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.0034	0.0122
Brugia malayi	steroid hormone receptor	0.0044	0.0389	0.1401
Loa Loa (eye worm)	steroid hormone receptor	0.0044	0.0389	0.1401
Schistosoma mansoni	patched 1	0.0041	0.0358	0.3309
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.0034	0.0122
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.0034	0.0034
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0044	0.0389	0.0389
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0073	0.2951
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0044	0.0389	0.1401
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0125	0.6715
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1593	0.1593
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0389	0.1401
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0085	0.2387
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.0389	0.0389
Loa Loa (eye worm)	nuclear hormone receptor	0.0016	0.0034	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0017	0.005	0.0181
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0248	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0044	0.0389	0.1401
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0125	0.7037
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0016	0.0034	0.0034
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0358	0.2248
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0044	0.0389	0.1401
Trypanosoma cruzi	Heat shock protein 83, putative	0.0033	0.0248	1
Onchocerca volvulus		0.0044	0.0389	0.1401
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0248	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0028	0.0183	0.1694
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0028	0.0183	0.115
Schistosoma mansoni	thyroid hormone receptor	0.0044	0.0389	0.3595
Echinococcus multilocularis	nuclear receptor nhr 48	0.0016	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0183	0.066
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.0034	0.0213

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5 nM	Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method	ChEMBL.	19962892
IC50 (binding)	= 286 nM	Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method	ChEMBL.	19962892

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: CHEMBL593739

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1088491