TDR Targets

Basic information

Technical information

TDR Targets ID: 341020
Name: (4R,5R)-3,3-dibutyl-5-[4-(diethylaminomethyl) phenyl]-7-(dimethylamino)-1,1-dioxo-4,5-dihyd ro-2H-benzo[b]thiepin-4-ol
MW: 528.789 | Formula: C31H48N2O3S
H donors: 1 H acceptors: 3 LogP: 6.79 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)CN(CC)CC)cc(cc2)N(C)C
InChi: 1S/C31H48N2O3S/c1-7-11-19-31(20-12-8-2)23-37(35,36)28-18-17-26(32(5)6)21-27(28)29(30(31)34)25-15-13-24(14-16-25)22-33(9-3)10-4/h13-18,21,29-30,34H,7-12,19-20,22-23H2,1-6H3/t29-,30-/m1/s1
InChiKey: KQBOBSOAALSFNB-LOYHVIPDSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(4R,5R)-3,3-dibutyl-5-[4-(diethylaminomethyl)phenyl]-7-(dimethylamino)-1,1-diketo-4,5-dihydro-2H-benzo[b]thiepin-4-ol
(4R,5R)-3,3-dibutyl-5-[4-(diethylaminomethyl)phenyl]-7-dimethylamino-1,1-dioxo-4,5-dihydro-2H-benzo[f]thiepin-4-ol
(4R,5R)-3,3-dibutyl-5-[4-(diethylaminomethyl)phenyl]-7-dimethylamino-1,1-diketo-4,5-dihydro-2H-benzo[f]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
Loa Loa (eye worm)	hypothetical protein	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
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 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
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
Schistosoma japonicum	IPR002657,Bile acid:sodium symporter,domain-containing	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
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0062	0.1795	0.172
Onchocerca volvulus		0.0031	0.0411	0.0009
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	fmrfamide receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	bromodomain containing protein	0.0067	0.2014	0.2014
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0031	0.0411	0.0411
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.0411	0.0411
Schistosoma mansoni	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0949	0.0949
Echinococcus multilocularis	serotonin receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	amine GPCR	0.0031	0.0411	0.0411
Echinococcus granulosus	biogenic amine 5HT receptor	0.0031	0.0411	0.0324
Brugia malayi	Bromodomain containing protein	0.0034	0.0514	0.0319
Onchocerca volvulus		0.0247	0.9983	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0411	0.0411
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0411	0.0411
Brugia malayi	Serotonin receptor	0.0031	0.0411	0.0213
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	7TM GPCR rhodopsin	0.0031	0.0411	0.0324
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0411	0.0324
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0031	0.0411	0.0009
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1039	0.1039
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.1868	0.1868
Echinococcus granulosus	allatostatin A receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0782	0.0782
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0031	0.0411	0.0213
Echinococcus granulosus	neuropeptide FF receptor 2	0.0031	0.0411	0.0324
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0248	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0411	0.0411
Treponema pallidum	octaprenyl-diphosphate synthase	0.0062	0.1795	0.5
Leishmania major	farnesyl pyrophosphate synthase	0.0248	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.0411	0.0324
Onchocerca volvulus		0.0031	0.0411	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	polyprenyl synthetase	0.0248	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.0411	0.0411
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Echinococcus multilocularis	G protein coupled receptor 139	0.0031	0.0411	0.0324
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0411	0.0324
Loa Loa (eye worm)	melatonin receptor type 1A	0.0031	0.0411	0.0411
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0031	0.0411	0.0324
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0031	0.0411	0.0324
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	hypothetical protein	0.0031	0.0402	0.0402
Echinococcus granulosus	neuropeptide receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0062	0.1795	0.172
Schistosoma mansoni	growth hormone secretagogue receptor	0.0031	0.0411	0.0411
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0411	0.0411
Brugia malayi	follicle stimulating hormone receptor	0.0031	0.0411	0.0213
Echinococcus multilocularis	serotonin receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Brugia malayi	PHD-finger family protein	0.0031	0.0402	0.0204
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Schistosoma mansoni	opsin-like receptor	0.0031	0.0411	0.0411
Brugia malayi	larval opioid receptor	0.0031	0.0411	0.0213
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Schistosoma mansoni	sodium-bile acid cotransporter	0.0147	0.554	0.554
Schistosoma mansoni	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	Bromodomain containing protein	0.0041	0.0834	0.0645
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0402	0.0402
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0031	0.0411	0.0411
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0248	1	1
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	G protein coupled receptor 139	0.0031	0.0411	0.0324
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0031	0.0411	0.0411
Brugia malayi	Dopamine receptor protein 2	0.0031	0.0411	0.0213
Schistosoma mansoni	amine GPCR	0.0031	0.0411	0.0411
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus multilocularis	allatostatin A receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	dro:myosuppressin receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	g-protein coupled receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0248	1	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0782	0.0782
Brugia malayi	jmjC domain containing protein	0.004	0.0782	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1386	0.1386
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0248	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0031	0.0411	0.0213
Schistosoma mansoni	adenoreceptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Schistosoma mansoni	amine GPCR	0.0031	0.0411	0.0411
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0248	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	G-protein coupled receptor	0.0031	0.0411	0.0213
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.1845	0.177
Echinococcus granulosus	neuropeptide receptor A26	0.0031	0.0411	0.0324
Schistosoma mansoni	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	RE15519p	0.0031	0.0411	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Schistosoma mansoni	myosin xvIII	0.0031	0.0411	0.0411
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0062	0.1795	0.172
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.3534	0.3476
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0722	0.0638
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	1	1
Brugia malayi	ORL1-like opioid receptor	0.0031	0.0411	0.0213
Schistosoma mansoni	amine GPCR	0.0031	0.0411	0.0411
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Onchocerca volvulus		0.0031	0.0411	0.0009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Brugia malayi	jmjC domain containing protein	0.0102	0.3534	0.3401
Echinococcus granulosus	sex peptide receptor	0.0031	0.0411	0.0324
Giardia lamblia	Farnesyl diphosphate synthase	0.0248	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0411	0.0324
Echinococcus granulosus	peregrin	0.0034	0.0514	0.0428
Brugia malayi	G protein-coupled receptor	0.0031	0.0411	0.0213
Onchocerca volvulus		0.0031	0.0411	0.0009
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Brugia malayi	Sodium Bile acid symporter family protein	0.0247	0.9983	0.9983
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.0062	0.1795	0.1451
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.172
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0247	0.9983	0.9983
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0248	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Echinococcus granulosus	7tm_1 domain containing protein	0.0031	0.0411	0.0324
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0248	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	g-protein coupled receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	Dopamine receptor protein 1	0.0031	0.0411	0.0213
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0782	0.0698
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.0411	0.0324
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	trans-prenyltransferase	0.0062	0.1795	0.1795
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.172
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.9983	0.9983
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0031	0.0411	0.0213
Brugia malayi	neuropeptide F receptor	0.0031	0.0411	0.0213
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	neuropeptide s receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0031	0.0411	0.0324
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.0411	0.0324
Brugia malayi	Polyprenyl synthetase family protein	0.0062	0.1795	0.1626
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.3534	0.3476
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0031	0.0411	0.0213
Loa Loa (eye worm)	TYRA-2 protein	0.0031	0.0411	0.0411
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0247	0.9983	0.9983
Echinococcus granulosus	orexin receptor type 2	0.0031	0.0411	0.0324
Schistosoma mansoni	glutathione synthetase	0.0062	0.1795	0.1795
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0248	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0402	0.0402
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.1795
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0031	0.0411	0.0411
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.0062	0.1795	0.1626
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Onchocerca volvulus		0.0031	0.0411	0.0009
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0062	0.1795	0.5
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0031	0.0411	0.0324
Schistosoma mansoni	histamine h1 receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.0411	0.0324
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Onchocerca volvulus		0.0031	0.0411	0.0009
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0031	0.0411	0.0411
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Brugia malayi	G protein-coupled receptor F59B2.13	0.0031	0.0411	0.0213
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0031	0.0411	0.0213
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0062	0.1795	0.1451
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0782	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Echinococcus multilocularis	neuropeptide s receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	sex peptide receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0411	0.0411
Brugia malayi	sulfakinin receptor protein	0.0031	0.0411	0.0213
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0031	0.0411	0.0411
Onchocerca volvulus		0.0031	0.0411	0.0009
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0031	0.0411	0.0411
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0031	0.0411	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	putative neuropeptide receptor	0.0031	0.0411	0.0213
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0031	0.0411	0.0324
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0031	0.0411	0.0324
Onchocerca volvulus		0.0031	0.0411	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	amine GPCR	0.0031	0.0411	0.0411
Schistosoma mansoni	sodium-bile acid cotransporter related	0.01	0.3469	0.3469
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0062	0.1795	0.172
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0411	0.0411
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Echinococcus multilocularis	somatostatin receptor	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0722	0.0638
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0062	0.1795	0.5
Brugia malayi	Serotonin receptor	0.0031	0.0411	0.0213
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0031	0.0411	0.0411
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Brugia malayi	GnHR receptor homolog	0.0031	0.0411	0.0213
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.2608	0.2608
Brugia malayi	G-protein coupled receptor	0.0031	0.0411	0.0213
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0248	1	1
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Echinococcus granulosus	somatostatin receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	orexin receptor type 2	0.0031	0.0411	0.0324
Loa Loa (eye worm)	polyprenyl synthetase	0.0062	0.1795	0.1795
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0402	0.0315
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.0062	0.1795	0.1795
Schistosoma mansoni	opsin-like receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	neuropeptide receptor A26	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Onchocerca volvulus		0.0031	0.0411	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0031	0.0411	0.0324
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0411	0.0324
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0031	0.0411	0.0324
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0941	0.0859
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0411	0.0411
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.1845	0.177
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0062	0.1795	0.1451
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.0411	0.0324
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	1	0.5
Brugia malayi	Melatonin receptor type 1A	0.0031	0.0411	0.0213
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0062	0.1795	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0031	0.0411	0.0411
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0031	0.0411	0.0324
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	1	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0941	0.0859
Onchocerca volvulus		0.0031	0.0411	0.0009
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0062	0.1795	0.5
Brugia malayi	AKH receptor	0.0031	0.0411	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2365	0.2365
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.0411	0.0324
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0411	0.0324
Schistosoma mansoni	opsin-like receptor	0.0031	0.0411	0.0411
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0031	0.0411	0.0411
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0411	0.0324
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0411	0.0324
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.009	0.009
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Onchocerca volvulus		0.0031	0.0411	0.0009
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0031	0.0411	0.0324
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Echinococcus granulosus	neuropeptide receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0248	1	1
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Echinococcus granulosus	hypothetical protein	0.0031	0.0411	0.0324
Schistosoma mansoni	neuropeptide f receptor 76f	0.0031	0.0411	0.0411
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0411	0.0324
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0411	0.0411
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.0062	0.1795	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.0411	0.0324
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0031	0.0411	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0411	0.0411
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0031	0.0411	0.0009
Brugia malayi	neuropeptide F receptor	0.0031	0.0411	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0837	0.0837
Echinococcus granulosus	serotonin receptor	0.0031	0.0411	0.0324
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0248	1	1
Echinococcus multilocularis	peregrin	0.0034	0.0514	0.0428
Brugia malayi	hypothetical protein	0.0031	0.0411	0.0213
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0402	0.0315
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0411	0.0324
Brugia malayi	Bromodomain containing protein	0.008	0.2567	0.2414
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0031	0.0411	0.0213
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.0411	0.0324
Brugia malayi	Dopamine receptor	0.0031	0.0411	0.0213
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0692	0.0607

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 930 nM	In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT	ChEMBL.	16134951
IC50 (binding)	= 930 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: 11663703

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 341020