TDR Targets

Basic information

Technical information

TDR Targets ID: 341019
Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(h ydroxymethyl)phenyl]-1,1-dioxo-4,5-dihydro-2H -benzo[b]thiepin-4-ol
MW: 473.668 | Formula: C27H39NO4S
H donors: 2 H acceptors: 4 LogP: 5.34 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)CO)cc(cc2)N(C)C
InChi: 1S/C27H39NO4S/c1-5-7-15-27(16-8-6-2)19-33(31,32)24-14-13-22(28(3)4)17-23(24)25(26(27)30)21-11-9-20(18-29)10-12-21/h9-14,17,25-26,29-30H,5-8,15-16,18-19H2,1-4H3/t25-,26-/m1/s1
InChiKey: ZGOPXRRIEDEGAJ-CLJLJLNGSA-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

(4R,5R)-3,3-dibutyl-7-(dimethylamino)-1,1-diketo-5-(4-methylolphenyl)-4,5-dihydro-2H-benzo[b]thiepin-4-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 10 (sodium/bile acid cotransporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K03453 bile acid:Na+ symporter, BASS family, putative	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Brugia malayi	Sodium Bile acid symporter family protein	Get druggable targets OG5_128996	All targets in OG5_128996
Onchocerca volvulus		Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma mansoni	sodium-bile acid cotransporter related	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma japonicum	IPR002657,Bile acid:sodium symporter,domain-containing	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma mansoni	sodium-bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_128996	All targets in OG5_128996
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996

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
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0608	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	fmrfamide receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0951	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.062	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0186	0.4997	0.4997
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.062	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.119	0.1139
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0056	0.1058	0.1006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.005	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	peregrin	0.0032	0.0332	0.0275
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.062	1
Echinococcus granulosus	neuropeptide s receptor	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0056	0.1058	0.1212
Echinococcus granulosus	biogenic amine 5HT receptor	0.0056	0.1058	0.1006
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0951	0.1255
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Brugia malayi	Bromodomain containing protein	0.0039	0.0538	0.0644
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.119	0.1139
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1058	0.1006
Schistosoma mansoni	opsin-like receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	orexin receptor type 2	0.0056	0.1058	0.1006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0951	0.0898
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1058	0.1058
Schistosoma mansoni	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0056	0.1058	0.1058
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	allatostatin A receptor	0.0056	0.1058	0.1006
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.062	1
Brugia malayi	larval opioid receptor	0.0056	0.1058	0.1415
Brugia malayi	Dopamine receptor protein 2	0.0056	0.1058	0.1415
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	sex peptide receptor	0.0056	0.1058	0.1006
Brugia malayi	follicle stimulating hormone receptor	0.0056	0.1058	0.1415
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trypanosoma brucei	glucosidase, putative	0.0041	0.062	1
Echinococcus multilocularis	neuropeptide receptor	0.0056	0.1058	0.1006
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1058	0.1006
Schistosoma mansoni	amine GPCR	0.0056	0.1058	0.1058
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Echinococcus granulosus	7TM GPCR rhodopsin	0.0056	0.1058	0.1006
Brugia malayi	GnHR receptor homolog	0.0056	0.1058	0.1415
Schistosoma mansoni	neuropeptide F-like receptor	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0179	0.1446
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0179	0.1446
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0056	0.1058	0.1058
Onchocerca volvulus		0.0056	0.1058	0.1212
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0367	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0951	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.062	1
Onchocerca volvulus		0.0056	0.1058	0.1212
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0179	0.1446
Onchocerca volvulus		0.0056	0.1058	0.1212
Onchocerca volvulus		0.0056	0.1058	0.1212
Echinococcus granulosus	neuropeptide Y receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0186	0.4997	0.4968
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0029	0.026	0.026
Echinococcus granulosus	serotonin receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.2281	0.2236
Echinococcus granulosus	G protein coupled receptor 139	0.0056	0.1058	0.1006
Brugia malayi	putative neuropeptide receptor	0.0056	0.1058	0.1415
Schistosoma mansoni	ran	0.0024	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.062	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	neuropeptide Y receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	serotonin receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0505	0.0505
Brugia malayi	neuropeptide F receptor	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Brugia malayi	G protein-coupled receptor F59B2.13	0.0056	0.1058	0.1415
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0056	0.1058	0.1058
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0056	0.1058	0.1058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0951	0.0951
Schistosoma mansoni	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	hypothetical protein	0.0352	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.062	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0056	0.1058	0.1006
Schistosoma mansoni	amine GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0056	0.1058	0.1415
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.062	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0951	0.0951
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Brugia malayi	neuropeptide F receptor	0.0056	0.1058	0.1415
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Onchocerca volvulus		0.0056	0.1058	0.1212
Brugia malayi	Bromodomain containing protein	0.0032	0.0332	0.0338
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0056	0.1058	0.1212
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.062	0.0565
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0056	0.1058	0.1006
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0247	0.6848	0.6848
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0056	0.1058	0.1006
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.026	0.0203
Echinococcus granulosus	biogenic amine 5HT receptor	0.0056	0.1058	0.1006
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0056	0.1058	0.1415
Echinococcus multilocularis	fmrfamide receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0613	0.0613
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	g-protein coupled receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0056	0.1058	0.1006
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	histamine h1 receptor	0.0056	0.1058	0.1058
Brugia malayi	Importin beta-1 subunit	0.0033	0.0367	0.039
Echinococcus multilocularis	neuropeptide receptor	0.0056	0.1058	0.1006
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0056	0.1058	0.1415
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0056	0.1058	0.1058
Echinococcus multilocularis	g-protein coupled receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	snurportin 1	0.0352	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1058	0.1006
Schistosoma mansoni	ran	0.0024	0.0104	0.0104
Giardia lamblia	PHD finger protein 15	0.0029	0.026	1
Brugia malayi	Sodium Bile acid symporter family protein	0.0247	0.6848	1
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0367	0.031
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0104	0.0046
Echinococcus granulosus	neuropeptides capa receptor	0.0056	0.1058	0.1006
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0056	0.1058	0.1006
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.026	0.592
Schistosoma mansoni	amine GPCR	0.0056	0.1058	0.1058
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0058	0.0058
Schistosoma mansoni	myosin xvIII	0.0056	0.1058	0.1058
Loa Loa (eye worm)	G-protein coupled receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	neuropeptide Y receptor	0.0056	0.1058	0.1006
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.062	1
Echinococcus multilocularis	neuropeptide s receptor	0.0056	0.1058	0.1006
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0056	0.1058	0.1058
Loa Loa (eye worm)	TYRA-2 protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0056	0.1058	0.1058
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1058	0.1006
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0056	0.1058	0.1415
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1058	0.1006
Schistosoma mansoni	sodium-bile acid cotransporter related	0.01	0.2403	0.2403
Echinococcus granulosus	sex peptide receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0505	0.0449
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0951	0.0898
Brugia malayi	Bromodomain containing protein	0.0076	0.1657	0.2302
Schistosoma mansoni	neuropeptide F-like receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	lysosomal alpha glucosidase	0.0186	0.4997	0.4968
Schistosoma mansoni	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0671	0.0671
Echinococcus multilocularis	neuropeptides capa receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0104	0.0104
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0367	0.031
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0056	0.1058	0.1006
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.062	1
Schistosoma mansoni	alpha-glucosidase	0.016	0.4213	0.4213
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0056	0.1058	0.1006
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0505	0.0505
Brugia malayi	Serotonin receptor	0.0056	0.1058	0.1415
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Brugia malayi	Dopamine receptor	0.0056	0.1058	0.1415
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.062	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	amine GPCR	0.0056	0.1058	0.1058
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0951	0.0898
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.026	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0039	0.054	0.054
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1058	0.1006
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	adenoreceptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0056	0.1058	0.1006
Echinococcus multilocularis	serotonin receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0056	0.1058	0.1006
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.026	0.3018
Brugia malayi	Serotonin receptor	0.0056	0.1058	0.1415
Schistosoma mansoni	growth hormone secretagogue receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0056	0.1058	0.1006
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.6848	0.683
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1058	0.1058
Brugia malayi	Dopamine receptor protein 1	0.0056	0.1058	0.1415
Echinococcus granulosus	neuropeptide FF receptor 2	0.0056	0.1058	0.1006
Echinococcus multilocularis	allatostatin A receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	dro:myosuppressin receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.6848	0.683
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0186	0.4997	0.7255
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	orexin receptor type 2	0.0056	0.1058	0.1006
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.6848	0.683
Brugia malayi	RE15519p	0.0056	0.1058	0.1415
Plasmodium falciparum	importin beta, putative	0.0033	0.0367	1
Onchocerca volvulus		0.0056	0.1058	0.1212
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	neuropeptide F receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0056	0.1058	0.1006
Schistosoma mansoni	sodium-bile acid cotransporter	0.0147	0.3816	0.3816
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0056	0.1058	0.1058
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0056	0.1058	0.1212
Echinococcus granulosus	neuropeptide Y receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.2281	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	neuropeptide receptor	0.0056	0.1058	0.1058
Plasmodium falciparum	phd finger protein, putative	0.0029	0.026	0.592
Brugia malayi	G protein-coupled receptor	0.0056	0.1058	0.1415
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.062	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.026	0.3018
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0056	0.1058	0.1415
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0056	0.1058	0.1415
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0505	0.0505
Brugia malayi	sulfakinin receptor protein	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Echinococcus multilocularis	dro:myosuppressin receptor	0.0056	0.1058	0.1006
Brugia malayi	G-protein coupled receptor	0.0056	0.1058	0.1415
Schistosoma mansoni	neuropeptide f receptor 76f	0.0056	0.1058	0.1058
Schistosoma mansoni	hypothetical protein	0.0029	0.026	0.026
Brugia malayi	G-protein coupled receptor	0.0056	0.1058	0.1415
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.026	0.026
Echinococcus granulosus	hypothetical protein	0.0056	0.1058	0.1006
Schistosoma mansoni	alpha glucosidase	0.0041	0.062	0.062
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0367	0.5099
Echinococcus multilocularis	neuropeptide receptor A26	0.0056	0.1058	0.1006
Brugia malayi	RNA, U transporter 1	0.0094	0.2203	0.3112
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0466	0.041
Echinococcus granulosus	7tm_1 domain containing protein	0.0056	0.1058	0.1006
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0056	0.1058	0.1006
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Echinococcus granulosus	tm gpcr rhodopsin	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1526	0.1526
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0056	0.1058	0.1212
Schistosoma mansoni	amine GPCR	0.0056	0.1058	0.1058
Echinococcus granulosus	neuropeptide receptor	0.0056	0.1058	0.1006
Brugia malayi	putative neuropeptide receptor NPR1	0.0056	0.1058	0.1415
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.6848	0.683
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0466	0.041
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0056	0.1058	0.1058
Echinococcus granulosus	neuropeptides capa receptor	0.0056	0.1058	0.1006
Entamoeba histolytica	hypothetical protein	0.0027	0.0179	0.1446
Onchocerca volvulus		0.0056	0.1058	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0056	0.1058	0.1006
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0056	0.1058	0.1058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Schistosoma mansoni	alpha-glucosidase	0.016	0.4213	0.4213
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.6848	0.683
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.1683	0.1683
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.062	1
Brugia malayi	Melatonin receptor type 1A	0.0056	0.1058	0.1415
Schistosoma mansoni	opsin-like receptor	0.0056	0.1058	0.1058
Onchocerca volvulus		0.0056	0.1058	0.1212
Brugia malayi	jmjC domain containing protein	0.0096	0.2281	0.3228
Brugia malayi	ORL1-like opioid receptor	0.0056	0.1058	0.1415
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Echinococcus multilocularis	G protein coupled receptor 139	0.0056	0.1058	0.1006
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0179	0.1446
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0367	0.5099
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	importin beta-1	0.0033	0.0367	0.0367
Schistosoma mansoni	bromodomain containing protein	0.0064	0.13	0.13
Echinococcus granulosus	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0247	0.6848	0.6848
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.062	1
Onchocerca volvulus		0.0108	0.2625	0.359
Brugia malayi	AKH receptor	0.0056	0.1058	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0056	0.1058	0.1006
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0367	0.5099
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1206	0.1206
Schistosoma mansoni	biogenic amine receptor	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.6848	0.683
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0056	0.1058	0.1058
Brugia malayi	PHD-finger family protein	0.0025	0.013	0.0039
Schistosoma mansoni	opsin-like receptor	0.0056	0.1058	0.1058
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0951	0.0951
Loa Loa (eye worm)	G-protein coupled receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0447	0.0391
Brugia malayi	jmjC domain containing protein	0.0037	0.0505	0.0594
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.062	0.0764
Brugia malayi	hypothetical protein	0.0056	0.1058	0.1415
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.026	0.026
Echinococcus multilocularis	peregrin	0.0032	0.0332	0.0275
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.062	0.0565
Loa Loa (eye worm)	neuropeptide F receptor	0.0056	0.1058	0.1058
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.062	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0179	0.1446
Echinococcus granulosus	neuropeptide receptor A26	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0247	0.6848	1
Echinococcus granulosus	fmrfamide receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Echinococcus multilocularis	neuropeptides capa receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	g protein coupled receptor	0.0056	0.1058	0.1006
Onchocerca volvulus		0.0056	0.1058	0.1212
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0186	0.4997	0.4968
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0608	0.0553
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0056	0.1058	0.1058
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0056	0.1058	0.1058
Echinococcus multilocularis	somatostatin receptor	0.0056	0.1058	0.1006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0056	0.1058	0.1006
Echinococcus granulosus	g protein coupled receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.062	0.062
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0104	0.0046
Echinococcus granulosus	somatostatin receptor	0.0056	0.1058	0.1006
Echinococcus granulosus	neuropeptide receptor	0.0056	0.1058	0.1006
Loa Loa (eye worm)	melatonin receptor type 1A	0.0056	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1058	0.1058
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0352	1	1
Brugia malayi	PHD-finger family protein	0.0029	0.026	0.0231

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 nM	In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT	ChEMBL.	16134951
IC50 (binding)	= 11 nM	In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT	ChEMBL.	16134951

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

PubChem: 11583698

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 341019