TDR Targets

Basic information

Technical information

TDR Targets ID: 212432
Name: (3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-pheny l-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1- dioxide
MW: 417.562 | Formula: C23H31NO4S
H donors: 1 H acceptors: 2 LogP: 4.51 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC
InChi: 1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1
InChiKey: CKFWDLFFXXVSBJ-DHIUTWEWSA-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	solute carrier family 10 (sodium/bile acid cotransporter), member 2	Starlite/ChEMBL	References
Mus musculus	solute carrier family 10, member 2	Starlite/ChEMBL	References
Rattus norvegicus	Ileal sodium/bile acid cotransporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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
Schistosoma japonicum	ko:K03453 bile acid:Na+ symporter, BASS family, putative	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
Schistosoma japonicum	IPR002657,Bile acid:sodium symporter,domain-containing	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 japonicum	Conserved hypothetical protein	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
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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Ileal sodium/bile acid cotransporter	348 aa	315 aa	27.9 %
Schistosoma mansoni	sodium-bile acid cotransporter related	Ileal sodium/bile acid cotransporter	348 aa	313 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serotonin receptor	0.015	0.1717	0.1717
Brugia malayi	Serotonin receptor	0.015	0.1717	0.1717
Echinococcus granulosus	7TM GPCR rhodopsin	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Brugia malayi	neuropeptide F receptor	0.015	0.1717	0.1717
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0301	0.3823	0.3823
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0331	0.0331
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0331	0.0331
Echinococcus multilocularis	g protein coupled receptor	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	G-protein coupled receptor, putative	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	fmrfamide receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide receptor	0.015	0.1717	0.1717
Echinococcus granulosus	sex peptide receptor	0.015	0.1717	0.1717
Echinococcus granulosus	7tm_1 domain containing protein	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide FF receptor 2	0.015	0.1717	0.1717
Echinococcus granulosus	sodium bile acid cotransporter	0.0742	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	Melatonin receptor type 1A	0.015	0.1717	0.1717
Mycobacterium ulcerans	putative regulatory protein	0.0037	0.0131	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide Y receptor	0.015	0.1717	0.1717
Schistosoma mansoni	growth hormone secretagogue receptor	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.015	0.1717	0.1717
Echinococcus granulosus	fmrfamide receptor	0.015	0.1717	0.1717
Schistosoma mansoni	amine GPCR	0.015	0.1717	0.1717
Onchocerca volvulus		0.0742	1	1
Echinococcus multilocularis	sodium bile acid cotransporter	0.0742	1	1
Schistosoma mansoni	amine GPCR	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide receptor	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Brugia malayi	G-protein coupled receptor	0.015	0.1717	0.1717
Brugia malayi	putative neuropeptide receptor NPR1	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0103	0.0103
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.015	0.1717	0.1717
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine receptor	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	sulfakinin receptor protein	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	G-protein coupled receptor	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.015	0.1717	0.1717
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide F-like receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	orexin receptor type 2	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide Y receptor	0.015	0.1717	0.1717
Echinococcus granulosus	dro:myosuppressin receptor	0.015	0.1717	0.1717
Echinococcus granulosus	biogenic amine 5HT receptor	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide receptor	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (5HT) receptor	0.015	0.1717	0.1717
Echinococcus granulosus	g protein coupled receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide Y receptor	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide F-like receptor	0.015	0.1717	0.1717
Brugia malayi	AKH receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptides capa receptor	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Echinococcus multilocularis	g-protein coupled receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	neuropeptide F receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptides capa receptor	0.015	0.1717	0.1717
Schistosoma mansoni	aryl hydrocarbon receptor	0.005	0.0314	0.0314
Echinococcus multilocularis	neuropeptide Y receptor	0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.015	0.1717	0.1717
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.1717	0.1717
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1972	0.1972
Echinococcus granulosus	g-protein coupled receptor	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	amine GPCR	0.015	0.1717	0.1717
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.015	0.1717	0.1717
Brugia malayi	neuropeptide F receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.1717	0.1717
Schistosoma mansoni	adenoreceptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Brugia malayi	bHLH-PAS transcription factor	0.0037	0.0131	0.0131
Loa Loa (eye worm)	G-protein coupled receptor	0.015	0.1717	0.1717
Brugia malayi	ORL1-like opioid receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	allatostatin A receptor	0.015	0.1717	0.1717
Brugia malayi	hypoxia-induced factor 1	0.0156	0.1789	0.1789
Echinococcus multilocularis	somatostatin receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide s receptor	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Brugia malayi	putative neuropeptide receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide FF receptor 2	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide receptor A26	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Schistosoma mansoni	histamine h1 receptor	0.015	0.1717	0.1717
Echinococcus granulosus	g protein coupled receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	sodium bile acid cotransporter	0.0742	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	neuropeptide F receptor	0.015	0.1717	0.1717
Brugia malayi	GnHR receptor homolog	0.015	0.1717	0.1717
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide receptor A26	0.015	0.1717	0.1717
Brugia malayi	follicle stimulating hormone receptor	0.015	0.1717	0.1717
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.015	0.1717	0.1717
Echinococcus multilocularis	transfer RNA-Lys	0.0037	0.0131	0.0131
Onchocerca volvulus		0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptides capa receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0103	0.0103
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (5HT) receptor	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	fmrfamide receptor	0.015	0.1717	0.1717
Brugia malayi	G protein-coupled receptor F59B2.13	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.015	0.1717	0.1717
Brugia malayi	Dopamine receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	opsin-like receptor	0.015	0.1717	0.1717
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0742	1	1
Echinococcus granulosus	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	G protein coupled receptor 139	0.015	0.1717	0.1717
Brugia malayi	G-protein coupled receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.0175	0.2062	0.2062
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	sodium bile acid cotransporter	0.0742	1	1
Schistosoma mansoni	opsin-like receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	g protein coupled receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0742	1	1
Echinococcus multilocularis	sex peptide receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	amine GPCR	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Onchocerca volvulus		0.0037	0.0131	0.0131
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.015	0.1717	0.1717
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.015	0.1717	0.1717
Schistosoma mansoni	single-minded	0.005	0.0314	0.0314
Echinococcus granulosus	peptide allatostatin:somatostatin	0.015	0.1717	0.1717
Schistosoma mansoni	amine GPCR	0.015	0.1717	0.1717
Echinococcus granulosus	sodium bile acid cotransporter	0.0742	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.0175	0.2062	0.2062
Echinococcus granulosus	alpha 1A adrenergic receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.015	0.1717	0.1717
Echinococcus granulosus	allatostatin A receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	tachykinin peptides receptor 99D	0.015	0.1717	0.1717
Echinococcus multilocularis	serotonin receptor	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	RE15519p	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Brugia malayi	G protein-coupled receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.015	0.1717	0.1717
Echinococcus granulosus	geminin	0.0175	0.2062	0.2062
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Echinococcus multilocularis	dro:myosuppressin receptor	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Schistosoma mansoni	hypothetical protein	0.0035	0.0103	0.0103
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	serotonin receptor	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Brugia malayi	Tachykinin-like peptides receptor 99D	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.0169	0.1972	0.1972
Brugia malayi	Dopamine receptor protein 2	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Schistosoma mansoni	opsin-like receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Onchocerca volvulus		0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	somatostatin receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.015	0.1717	0.1717
Brugia malayi	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0156	0.1789	0.1789
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	neuropeptide s receptor	0.015	0.1717	0.1717
Brugia malayi	larval opioid receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.015	0.1717	0.1717
Echinococcus granulosus	biogenic amine 5HT receptor	0.015	0.1717	0.1717
Echinococcus granulosus	g protein coupled receptor	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptides capa receptor	0.015	0.1717	0.1717
Brugia malayi	Dopamine receptor protein 1	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus granulosus	single minded 2	0.0037	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide receptor	0.015	0.1717	0.1717
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Schistosoma mansoni	myosin xvIII	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide receptor	0.015	0.1717	0.1717
Brugia malayi	Serotonin receptor	0.015	0.1717	0.1717
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.015	0.1717	0.1717
Schistosoma mansoni	alpha-1 adrenergic receptor	0.015	0.1717	0.1717
Loa Loa (eye worm)	melatonin receptor type 1A	0.015	0.1717	0.1717
Loa Loa (eye worm)	TYRA-2 protein	0.015	0.1717	0.1717
Echinococcus granulosus	orexin receptor type 2	0.015	0.1717	0.1717
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.015	0.1717	0.1717
Echinococcus granulosus	sodium bile acid cotransporter	0.0742	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0331	0.0331
Echinococcus multilocularis	geminin	0.0175	0.2062	0.2062
Echinococcus granulosus	G protein coupled receptor 139	0.015	0.1717	0.1717
Schistosoma mansoni	sodium-bile acid cotransporter	0.0441	0.5787	0.5787
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Brugia malayi	PAS domain containing protein	0.005	0.0314	0.0314
Echinococcus multilocularis	g protein coupled receptor	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus granulosus	neuropeptide receptor	0.015	0.1717	0.1717
Schistosoma mansoni	neuropeptide f receptor 76f	0.015	0.1717	0.1717
Onchocerca volvulus	Neuropeptide F receptor homolog	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.015	0.1717	0.1717
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.1717	0.1717
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.015	0.1717	0.1717

Activities

Activity type	Activity value	Assay description	Source	Reference
Efficacy (functional)	= 100 %	In vivo inhibition of ASBT in C57BL/6J mouse assessed as increase in fecal bile acid excretion measured for 24 hrs relative to 264W94	ChEMBL.	23678871
IC50 (binding)	= 3 nM	Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis	ChEMBL.	23678871
IC50 (binding)	= 22 nM	Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis	ChEMBL.	23678871
IC50 (binding)	= 48 nM	In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codependent Bile Acid Transporter	ChEMBL.	14552767
IC50 (binding)	= 48 nM	In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codependent Bile Acid Transporter	ChEMBL.	14552767
IC50 (binding)	= 180 nM	Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis	ChEMBL.	23678871

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: CHEMBL332370
PubChem: 9823277

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 212432