TDR Targets

Basic information

Technical information

TDR Targets ID: 424437
Name: 4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin- 4-yl]anilino]methyl]benzoic acid
MW: 526.505 | Formula: C31H21F3N2O3
H donors: 2 H acceptors: 4 LogP: 7.05 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1cnc2c(c1c1cccc(c1)NCc1ccc(cc1)C(=O)O)cccc2C(F)(F)F)c1ccccc1
InChi: 1S/C31H21F3N2O3/c32-31(33,34)26-11-5-10-24-27(25(18-36-28(24)26)29(37)20-6-2-1-3-7-20)22-8-4-9-23(16-22)35-17-19-12-14-21(15-13-19)30(38)39/h1-16,18,35H,17H2,(H,38,39)
InChiKey: WPUHRYSDQSXTGR-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

4-[[3-[3-benzoyl-8-(trifluoromethyl)-4-quinolyl]anilino]methyl]benzoic acid
4-[[[3-[3-(phenylcarbonyl)-8-(trifluoromethyl)quinolin-4-yl]phenyl]amino]methyl]benzoic acid
4-[[[3-[3-(benzoyl)-8-(trifluoromethyl)quinolin-4-yl]phenyl]amino]methyl]benzoic acid
4-[[[3-[3-(benzoyl)-8-(trifluoromethyl)-4-quinolyl]phenyl]amino]methyl]benzoic acid
4-[[[3-[3-(oxo-phenylmethyl)-8-(trifluoromethyl)-4-quinolyl]phenyl]amino]methyl]benzoic acid
4-[[[3-[3-phenylcarbonyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]amino]methyl]benzoic acid

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
Brugia malayi	ecdysteroid receptor	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
Onchocerca volvulus	Bile acid receptor homolog	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		0.0256	0.1544	0.2307
Schistosoma mansoni	amine GPCR	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0852	0.6471	0.9316
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	sulfakinin receptor protein	0.091	0.6946	1
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus granulosus	dro:myosuppressin receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Echinococcus granulosus	g protein coupled receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.091	0.6946	1
Echinococcus multilocularis	allatostatin A receptor	0.0256	0.1544	0.1385
Trypanosoma brucei	histone deacetylase 3	0.0718	0.5359	0.7059
Onchocerca volvulus		0.0256	0.1544	0.2307
Mycobacterium tuberculosis	Conserved protein	0.0862	0.6551	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0185	0.0266
Brugia malayi	G protein-coupled receptor F59B2.13	0.0256	0.1544	0.2011
Trypanosoma cruzi	histone deacetylase, putative	0.0718	0.5359	0.7059
Echinococcus multilocularis	g protein coupled receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	g-protein coupled receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	neuropeptide receptor A26	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0256	0.1544	0.1385
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Trypanosoma brucei	histone deacetylase 1	0.0852	0.6471	1
Echinococcus multilocularis	histone deacetylase 6	0.0718	0.5359	0.5272
Loa Loa (eye worm)	hypothetical protein	0.0395	0.2692	0.3876
Toxoplasma gondii	histone deacetylase HDAC1	0.0718	0.5359	0.8232
Loa Loa (eye worm)	hypothetical protein	0.0323	0.2094	0.3015
Brugia malayi	follicle stimulating hormone receptor	0.0256	0.1544	0.2011
Schistosoma mansoni	growth hormone secretagogue receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	histone deacetylase	0.0852	0.6471	1
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Schistosoma mansoni	neuropeptide F-like receptor	0.0256	0.1544	0.2163
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Echinococcus granulosus	histone deacetylase	0.0718	0.5359	0.5272
Brugia malayi	G-protein coupled receptor	0.0256	0.1544	0.2011
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Brugia malayi	histone deacetylase 3 (HD3)	0.0852	0.6471	0.9297
Echinococcus granulosus	G protein coupled receptor 139	0.0256	0.1544	0.1385
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0256	0.1544	0.2163
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0256	0.1544	0.1385
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	neuropeptide receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Schistosoma mansoni	histone deacetylase hda2	0.0395	0.2692	0.3989
Loa Loa (eye worm)	histone deacetylase 1	0.0852	0.6471	0.9316
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus granulosus	histone deacetylase 6	0.0718	0.5359	0.5272
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	serotonin receptor	0.0256	0.1544	0.1385
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0395	0.2692	1
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0256	0.1544	0.1385
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0256	0.1544	0.1385
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus granulosus	g protein coupled receptor	0.0256	0.1544	0.1385
Brugia malayi	GnHR receptor homolog	0.0744	0.5574	0.797
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus multilocularis	dro:myosuppressin receptor	0.0256	0.1544	0.1385
Onchocerca volvulus		0.0256	0.1544	0.2307
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0256	0.1544	0.2011
Schistosoma mansoni	opsin-like receptor	0.0256	0.1544	0.2163
Brugia malayi	Angiotensin-converting enzyme family protein	0.0602	0.4402	0.6237
Echinococcus granulosus	fmrfamide receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	histone deacetylase 7A	0.0718	0.5359	0.7716
Mycobacterium leprae	conserved hypothetical protein	0.0862	0.6551	1
Onchocerca volvulus		0.0256	0.1544	0.2307
Schistosoma mansoni	myosin xvIII	0.0256	0.1544	0.2163
Echinococcus granulosus	allatostatin A receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	histamine h1 receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0256	0.1544	0.2011
Echinococcus granulosus	neuropeptide FF receptor 2	0.0256	0.1544	0.1385
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Loa Loa (eye worm)	histone deacetylase 11	0.0395	0.2692	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus granulosus	biogenic amine 5HT receptor	0.0256	0.1544	0.1385
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Schistosoma mansoni	histone deacetylase 1 2 3	0.0395	0.2692	0.3989
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0256	0.1544	0.1385
Loa Loa (eye worm)	histone deacetylase	0.0718	0.5359	0.7716
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Brugia malayi	histone deacetylase 11	0.0395	0.2692	0.3709
Leishmania major	histone deacetylase, putative	0.0852	0.6471	1
Brugia malayi	Dopamine receptor protein 1	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0256	0.1544	0.2011
Schistosoma mansoni	hypothetical protein	0.0256	0.1544	0.2163
Brugia malayi	neuropeptide F receptor	0.0256	0.1544	0.2011
Giardia lamblia	Histone deacetylase	0.0852	0.6471	0.5
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	sex peptide receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0256	0.1544	0.2163
Trichomonas vaginalis	histone deacetylase, putative	0.0852	0.6471	0.5
Schistosoma mansoni	neuropeptide receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	histone deacetylase	0.0852	0.6471	1
Brugia malayi	AKH receptor	0.0256	0.1544	0.2011
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0256	0.1544	0.1385
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0256	0.1544	0.1385
Schistosoma mansoni	histone deacetylase hda2	0.0749	0.5617	0.8642
Echinococcus granulosus	neuropeptide receptor A26	0.0256	0.1544	0.1385
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0256	0.1544	0.2307
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	somatostatin receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	amine GPCR	0.0256	0.1544	0.2163
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Brugia malayi	Dopamine receptor	0.0256	0.1544	0.2011
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus granulosus	tm gpcr rhodopsin	0.0256	0.1544	0.1385
Echinococcus granulosus	7TM GPCR rhodopsin	0.0256	0.1544	0.1385
Schistosoma mansoni	amine GPCR	0.0256	0.1544	0.2163
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0256	0.1544	0.2223
Echinococcus multilocularis	histone deacetylase 3	0.0852	0.6471	0.6404
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Schistosoma mansoni	neuropeptide receptor	0.0256	0.1544	0.2163
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0256	0.1544	0.2011
Brugia malayi	putative neuropeptide receptor	0.0256	0.1544	0.2011
Loa Loa (eye worm)	neuropeptide F receptor	0.0256	0.1544	0.2223
Echinococcus multilocularis	serotonin receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	neuropeptide receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	neuropeptide Y receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	neuropeptide Y receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	biogenic amine receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Onchocerca volvulus		0.0256	0.1544	0.2307
Brugia malayi	Histone deacetylase family protein	0.0718	0.5359	0.7653
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Echinococcus multilocularis	sex peptide receptor	0.0256	0.1544	0.1385
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus multilocularis	g-protein coupled receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	hypothetical protein	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0256	0.1544	0.2223
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0256	0.1544	0.2163
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	histone deacetylase 1 (HD1)	0.0852	0.6471	0.9297
Schistosoma mansoni	histone deacetylase 4 5	0.0718	0.5359	0.8232
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1279	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	neuropeptides capa receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus granulosus	histone deacetylase 6	0.0749	0.5617	0.5535
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	hypothetical protein	0.091	0.6946	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0256	0.1544	0.2163
Trypanosoma cruzi	histone deacetylase, putative	0.0718	0.5359	0.7059
Schistosoma mansoni	neuropeptide F-like receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	neuropeptide receptor	0.0256	0.1544	0.2163
Echinococcus multilocularis	histone deacetylase 6	0.0718	0.5359	0.5272
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	histone deacetylase 1	0.0852	0.6471	0.6404
Echinococcus granulosus	7tm_1 domain containing protein	0.0256	0.1544	0.1385
Brugia malayi	larval opioid receptor	0.0256	0.1544	0.2011
Schistosoma mansoni	hypothetical protein	0.0256	0.1544	0.2163
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus multilocularis	histone deacetylase 6	0.0749	0.5617	0.5535
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	histone deacetylase 8	0.0395	0.2692	0.2555
Brugia malayi	G protein-coupled receptor	0.0256	0.1544	0.2011
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0256	0.1544	0.2163
Echinococcus granulosus	histone deacetylase 6	0.0718	0.5359	0.5272
Echinococcus multilocularis	neuropeptides capa receptor	0.0256	0.1544	0.1385
Brugia malayi	Dopamine receptor protein 2	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	orexin receptor type 2	0.0256	0.1544	0.1385
Schistosoma mansoni	histone deacetylase 4 5	0.0718	0.5359	0.8232
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	Serotonin receptor	0.0256	0.1544	0.2011
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0256	0.1544	0.1385
Brugia malayi	neuropeptide F receptor	0.0256	0.1544	0.2011
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Schistosoma mansoni	biogenic amine receptor	0.0256	0.1544	0.2163
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0354	0.2352	0.3386
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Leishmania major	histone deacetylase, putative	0.0852	0.6471	1
Brugia malayi	ecdysteroid receptor	0.0214	0.12	0.1502
Trypanosoma cruzi	histone deacetylase 1, putative	0.0852	0.6471	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0214	0.12	0.1728
Echinococcus granulosus	histone deacetylase 3	0.0852	0.6471	0.6404
Echinococcus multilocularis	fmrfamide receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	histone deacetylase 3	0.0852	0.6471	0.9316
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus multilocularis	g protein coupled receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0256	0.1544	0.2163
Echinococcus multilocularis	neuropeptide Y receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Onchocerca volvulus		0.0256	0.1544	0.2307
Echinococcus granulosus	biogenic amine 5HT receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Brugia malayi	G-protein coupled receptor	0.0256	0.1544	0.2011
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0256	0.1544	0.2163
Echinococcus multilocularis	G protein coupled receptor 139	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus granulosus	hypothetical protein	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0185	0.0266
Echinococcus multilocularis	neuropeptide receptor	0.0256	0.1544	0.1385
Echinococcus granulosus	orexin receptor type 2	0.0256	0.1544	0.1385
Trypanosoma cruzi	histone deacetylase, putative	0.0718	0.5359	0.7059
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Mycobacterium ulcerans	hypothetical protein	0.0862	0.6551	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Schistosoma mansoni	amine GPCR	0.0256	0.1544	0.2163
Brugia malayi	Histone deacetylase 1	0.0852	0.6471	0.9297
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Trypanosoma cruzi	histone deacetylase 1, putative	0.0852	0.6471	1
Schistosoma mansoni	biogenic amine receptor	0.0256	0.1544	0.2163
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0548	0.3954	0.384
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0852	0.6471	0.5
Schistosoma mansoni	adenoreceptor	0.0256	0.1544	0.2163
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	neuropeptide s receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0256	0.1544	0.2163
Echinococcus multilocularis	g protein coupled receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	melatonin receptor type 1A	0.0256	0.1544	0.2223
Brugia malayi	Histone deacetylase family protein	0.0718	0.5359	0.7653
Echinococcus granulosus	somatostatin receptor	0.0256	0.1544	0.1385
Schistosoma mansoni	opsin-like receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	amine GPCR	0.0256	0.1544	0.2163
Echinococcus multilocularis	histone deacetylase 8	0.0395	0.2692	0.2555
Echinococcus granulosus	histone deacetylase 1	0.0852	0.6471	0.6404
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	histone deacetylase	0.0718	0.5359	0.5272
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	RE15519p	0.0256	0.1544	0.2011
Trypanosoma brucei	histone deacetylase, putative	0.0718	0.5359	0.7059
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	neuropeptide F receptor	0.0256	0.1544	0.2223
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0862	0.6551	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	histone deacetylase 7	0.0718	0.5359	0.5272
Trypanosoma brucei	histone deacetylase 4	0.0718	0.5359	0.7059
Toxoplasma gondii	histone deacetylase HDAC2	0.0852	0.6471	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0256	0.1544	0.2223
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0256	0.1544	0.1385
Loa Loa (eye worm)	G-protein coupled receptor	0.0256	0.1544	0.2223
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0256	0.1544	0.2223
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0548	0.3954	0.384
Entamoeba histolytica	hypothetical protein, conserved	0.0862	0.6551	1
Echinococcus granulosus	neuropeptides capa receptor	0.0256	0.1544	0.1385
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0256	0.1544	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0256	0.1544	0.1385
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0852	0.6471	0.5
Schistosoma mansoni	neuropeptide receptor	0.0256	0.1544	0.2163
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Echinococcus granulosus	tm gpcr rhodopsin	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0602	0.4402	0.6337
Echinococcus granulosus	serotonin receptor	0.0256	0.1544	0.1385
Plasmodium vivax	histone deacetylase, putative	0.0718	0.5359	0.7059
Brugia malayi	hypothetical protein	0.0256	0.1544	0.2011
Brugia malayi	Serotonin receptor	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Schistosoma mansoni	hypothetical protein	0.0256	0.1544	0.2163
Onchocerca volvulus		0.0256	0.1544	0.2307
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Plasmodium vivax	histone deacetylase 2, putative	0.0718	0.5359	0.7059
Echinococcus granulosus	neuropeptide Y receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	fmrfamide receptor	0.0256	0.1544	0.1385
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0256	0.1544	0.2011
Brugia malayi	Melatonin receptor type 1A	0.0256	0.1544	0.2011
Echinococcus multilocularis	neuropeptide s receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	TYRA-2 protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Brugia malayi	putative neuropeptide receptor NPR1	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Mycobacterium ulcerans	hypothetical protein	0.0862	0.6551	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0852	0.6471	0.5
Toxoplasma gondii	histone deacetylase HDAC5	0.0395	0.2692	0.3989
Brugia malayi	ORL1-like opioid receptor	0.0256	0.1544	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Echinococcus granulosus	g protein coupled receptor	0.0256	0.1544	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Plasmodium falciparum	histone deacetylase 1	0.0852	0.6471	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1544	0.2223
Plasmodium vivax	histone deacetylase 1, putative	0.0852	0.6471	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0852	0.6471	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0256	0.1544	0.1385
Echinococcus granulosus	histone deacetylase 7	0.0718	0.5359	0.5272
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0256	0.1544	0.2223
Toxoplasma gondii	histone deacetylase HDAC4	0.0395	0.2692	0.3989
Schistosoma mansoni	opsin-like receptor	0.0256	0.1544	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0185	0.0266
Echinococcus multilocularis	neuropeptide receptor	0.0256	0.1544	0.1385
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0256	0.1544	0.1385
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0256	0.1544	0.2163
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0256	0.1544	0.1385
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0256	0.1544	0.2011
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0256	0.1544	0.2163

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 34 %	Agonist activity at human recombinant LXRbeta expressed in CHO cells relative to TO901317	ChEMBL.	17391964
Activity (functional)	= 34 %	Agonist activity at human recombinant LXRbeta expressed in CHO cells relative to TO901317	ChEMBL.	17391964
EC50 (functional)	= 365 nM	Agonist activity at human recombinant LXRbeta expressed in CHO cells	ChEMBL.	17391964
EC50 (functional)	= 365 nM	Agonist activity at human recombinant LXRbeta expressed in CHO cells	ChEMBL.	17391964
IC50 (binding)	= 138 nM	Displacement of [3H]T0901317 from human recombinant LXRbeta expressed in CHO cells	ChEMBL.	17391964
IC50 (binding)	= 138 nM	Displacement of [3H]T0901317 from human recombinant LXRbeta expressed in CHO cells	ChEMBL.	17391964
IC50 (binding)	= 420 nM	Displacement of [3H]T0901317 from human recombinant LXRalpha expressed in CHO cells	ChEMBL.	17391964
IC50 (binding)	= 420 nM	Displacement of [3H]T0901317 from human recombinant LXRalpha expressed in CHO cells	ChEMBL.	17391964

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: CHEMBL225996
PubChem: 23648480

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 424437