TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 361.455 | Formula: C19H23NO4S
H donors: 1 H acceptors: 0 LogP: 3.42 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1OCCNC[C@H]1CSc2c(O1)cccc2)OC
InChi: 1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
InChiKey: QAUVAHYHKLRJCQ-AWEZNQCLSA-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	adrenoceptor alpha 1A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0312	0.1942
Schistosoma mansoni	amine GPCR	0.0062	0.0172	0.2722
Echinococcus multilocularis	tumor protein p63	0.0408	0.2354	0.4902
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0609	1
Echinococcus granulosus	hypothetical protein	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	6-phosphofructokinase	0.0131	0.0609	0.0601
Echinococcus granulosus	neuropeptide FF receptor 2	0.0062	0.0172	0.0358
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0078	0.007
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0062	0.0172	0.0358
Echinococcus granulosus	tumor protein p63	0.0408	0.2354	0.4911
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Schistosoma mansoni	adenoreceptor	0.0062	0.0172	0.2722
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0795	0.4794	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Schistosoma mansoni	amine GPCR	0.0062	0.0172	0.2722
Brugia malayi	chromobox protein homolog 3	0.0047	0.0078	0.007
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0795	0.4794	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	neuropeptide receptor A26	0.0062	0.0172	0.0358
Echinococcus multilocularis	neuropeptides capa receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	single-minded	0.0059	0.0151	0.2384
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0125	0.0568	0.117
Echinococcus granulosus	tm gpcr rhodopsin	0.0062	0.0172	0.0358
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Echinococcus multilocularis	netrin receptor unc 5	0.0125	0.0568	0.117
Schistosoma mansoni	opsin-like receptor	0.0062	0.0172	0.2722
Echinococcus multilocularis	sex peptide receptor	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	opsin-like receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0062	0.0172	0.0164
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0325	0.0316
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.162	1	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0062	0.0172	0.0342
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0609	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0078	0.0064
Plasmodium vivax	SET domain protein, putative	0.0036	0.0008	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0005	0.5
Brugia malayi	putative neuropeptide receptor	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	transfer RNA-Lys	0.0043	0.0055	0.0098
Echinococcus multilocularis	neuropeptide receptor A26	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	allatostatin A receptor	0.0062	0.0172	0.0358
Brugia malayi	sulfakinin receptor protein	0.0062	0.0172	0.0164
Echinococcus granulosus	biogenic amine 5HT receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	neuropeptide f receptor 76f	0.0062	0.0172	0.2722
Onchocerca volvulus		0.0062	0.0172	0.0158
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0101	0.061
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0078	0.0467
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0062	0.0172	0.0342
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	hypoxia-induced factor 1	0.0182	0.0928	0.092
Onchocerca volvulus		0.006	0.0158	0.0144
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0062	0.0172	0.0158
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0014	0.0006
Schistosoma mansoni	opsin-like receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0062	0.0172	0.0358
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0062	0.0172	0.2722
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0062	0.0172	0.0164
Echinococcus granulosus	somatostatin receptor	0.0062	0.0172	0.0358
Brugia malayi	6-phosphofructokinase	0.0131	0.0609	0.0601
Onchocerca volvulus		0.0287	0.1591	0.1579
Onchocerca volvulus		0.0062	0.0172	0.0158
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0609	0.3823
Brugia malayi	AKH receptor	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0062	0.0172	0.0342
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0062	0.0172	0.2722
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0609	1
Brugia malayi	hypothetical protein	0.007	0.022	0.0212
Echinococcus granulosus	orexin receptor type 2	0.0062	0.0172	0.0358
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0101	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0383	0.2197	0.219
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0131	0.0609	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0062	0.0172	0.2722
Brugia malayi	phosphofructokinase	0.0131	0.0609	0.0601
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0062	0.0172	0.0358
Onchocerca volvulus	Netrin receptor homolog	0.0125	0.0568	0.0555
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0062	0.0172	0.0342
Echinococcus granulosus	neuropeptides capa receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	G-protein coupled receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	dro:myosuppressin receptor	0.0062	0.0172	0.0342
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0062	0.0172	0.2722
Echinococcus multilocularis	neuropeptide Y receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	neuropeptide receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	aryl hydrocarbon receptor	0.0059	0.0151	0.2384
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0062	0.0172	0.0164
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	neuropeptide F receptor	0.0062	0.0172	0.0164
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1585	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0062	0.0172	0.0164
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	chromobox protein 1	0.0084	0.0312	0.065
Schistosoma mansoni	neuropeptide receptor	0.0062	0.0172	0.2722
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0125	0.0568	0.1186
Echinococcus granulosus	death domain containing protein	0.0125	0.0568	0.1186
Brugia malayi	Dopamine receptor	0.0062	0.0172	0.0164
Brugia malayi	GnHR receptor homolog	0.0062	0.0172	0.0164
Echinococcus multilocularis	fmrfamide receptor	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	G protein-coupled receptor F59B2.13	0.0062	0.0172	0.0164
Echinococcus multilocularis	jun protein	0.0106	0.0448	0.0918
Echinococcus multilocularis	g protein coupled receptor	0.0062	0.0172	0.0342
Mycobacterium ulcerans	6-phosphofructokinase	0.0131	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	neuropeptide receptor	0.0062	0.0172	0.0342
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0609	0.0601
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0312	0.1942
Brugia malayi	G protein-coupled receptor	0.0062	0.0172	0.0164
Echinococcus granulosus	neuropeptide Y receptor	0.0062	0.0172	0.0358
Brugia malayi	Dopamine receptor protein 1	0.0062	0.0172	0.0164
Echinococcus multilocularis	serotonin receptor	0.0062	0.0172	0.0342
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0062	0.0172	0.0164
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0062	0.0172	0.2722
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0062	0.0172	0.0342
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0905	0.5487	0.5483
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	biogenic amine receptor	0.0062	0.0172	0.2722
Echinococcus granulosus	jun protein	0.0106	0.0448	0.0934
Echinococcus granulosus	g protein coupled receptor	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	hypothetical protein	0.0062	0.0172	0.2722
Echinococcus multilocularis	neuropeptide receptor	0.0062	0.0172	0.0342
Loa Loa (eye worm)	cytochrome P450 family protein	0.004	0.0034	0.0026
Brugia malayi	Death domain containing protein	0.0125	0.0568	0.056
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0126	0.0574	0.9422
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Echinococcus multilocularis	g protein coupled receptor	0.0062	0.0172	0.0342
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0609	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1366	0.1359
Brugia malayi	bZIP transcription factor family protein	0.0106	0.0448	0.044
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0609	0.3823
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	tm gpcr rhodopsin	0.0062	0.0172	0.0358
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0312	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	biogenic amine receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	amine GPCR	0.0062	0.0172	0.2722
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0062	0.0172	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	histamine h1 receptor	0.0062	0.0172	0.2722
Onchocerca volvulus		0.0062	0.0172	0.0158
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0062	0.0172	0.0342
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0062	0.0172	0.0342
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0008	0.0017
Brugia malayi	hypothetical protein	0.0147	0.0708	0.07
Echinococcus granulosus	6 phosphofructokinase	0.0131	0.0609	0.127
Brugia malayi	neuropeptide F receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	fmrfamide receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	jun-related protein	0.0089	0.0343	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0158	0.2487
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0062	0.0172	0.0358
Echinococcus granulosus	serotonin receptor	0.0062	0.0172	0.0358
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Loa Loa (eye worm)	melatonin receptor type 1A	0.0062	0.0172	0.0164
Echinococcus granulosus	single minded 2	0.0043	0.0055	0.0115
Echinococcus granulosus	dro:myosuppressin receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	hypothetical protein	0.0062	0.0172	0.2722
Echinococcus multilocularis	Ankyrin	0.0126	0.0574	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	7TM GPCR rhodopsin	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0008	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Brugia malayi	Serotonin receptor	0.0062	0.0172	0.0164
Echinococcus granulosus	7tm_1 domain containing protein	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0568	0.056
Onchocerca volvulus		0.0062	0.0172	0.0158
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0106	0.0448	0.0934
Brugia malayi	bHLH-PAS transcription factor	0.0043	0.0055	0.0047
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0062	0.0172	0.0164
Schistosoma mansoni	chromobox protein	0.0084	0.0312	0.505
Brugia malayi	G-protein coupled receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	serotonin receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0609	1
Echinococcus granulosus	G protein coupled receptor 139	0.0062	0.0172	0.0358
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0062	0.0172	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	chromobox protein 1	0.0084	0.0312	0.065
Schistosoma mansoni	netrin receptor unc5	0.0125	0.0568	0.9327
Onchocerca volvulus		0.007	0.022	0.0206
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0062	0.0172	0.0358
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Brugia malayi	larval opioid receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Brugia malayi	putative neuropeptide receptor NPR1	0.0062	0.0172	0.0164
Schistosoma mansoni	growth hormone secretagogue receptor	0.0062	0.0172	0.2722
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0609	0.3823
Echinococcus granulosus	rhodopsin orphan GPCR	0.0062	0.0172	0.0358
Brugia malayi	Pre-SET motif family protein	0.0251	0.1366	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Echinococcus granulosus	g protein coupled receptor	0.0062	0.0172	0.0358
Brugia malayi	Uncoordinated protein 44	0.0125	0.0568	0.056
Echinococcus granulosus	sex peptide receptor	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.034	0.1924	0.1917
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0312	0.0303
Onchocerca volvulus		0.0062	0.0172	0.0158
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Onchocerca volvulus		0.0043	0.0055	0.0041
Echinococcus granulosus	biogenic amine 5HT receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	hypothetical protein	0.0089	0.0343	0.5571
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0005	0.5
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0609	0.3823
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	G-protein coupled receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	allatostatin A receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0062	0.0172	0.0164
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0609	0.0601
Onchocerca volvulus		0.0062	0.0172	0.0158
Brugia malayi	RE15519p	0.0062	0.0172	0.0164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Loa Loa (eye worm)	G-protein coupled receptor	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	g protein coupled receptor	0.0062	0.0172	0.0358
Brugia malayi	Cytochrome P450 family protein	0.004	0.0034	0.0026
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0131	0.0609	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Schistosoma mansoni	neuropeptide F-like receptor	0.0062	0.0172	0.2722
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0062	0.0172	0.0358
Echinococcus granulosus	Ankyrin	0.0126	0.0574	0.1197
Schistosoma mansoni	neuropeptide receptor	0.0062	0.0172	0.2722
Onchocerca volvulus		0.005	0.0095	0.0081
Schistosoma mansoni	hypothetical protein	0.0062	0.0172	0.2722
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0062	0.0172	0.2722
Echinococcus granulosus	neuropeptide receptor	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	Protein kinase domain containing protein	0.0125	0.0568	0.056
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	neuropeptide F-like receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1024	0.1016
Schistosoma mansoni	myosin xvIII	0.0062	0.0172	0.2722
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0062	0.0172	0.2722
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0101	0.061
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0062	0.0172	0.0358
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0182	0.0928	0.092
Loa Loa (eye worm)	hypothetical protein	0.006	0.0158	0.0149
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.005	0.0095	0.1446
Brugia malayi	ORL1-like opioid receptor	0.0062	0.0172	0.0164
Schistosoma mansoni	amine GPCR	0.0062	0.0172	0.2722
Loa Loa (eye worm)	TYRA-2 protein	0.0062	0.0172	0.0164
Brugia malayi	Dopamine receptor protein 2	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0106	0.0448	0.0918
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0062	0.0172	0.0164
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	biogenic amine receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	hypothetical protein	0.0197	0.1024	0.1016
Onchocerca volvulus		0.162	1	1
Echinococcus granulosus	neuropeptide s receptor	0.0062	0.0172	0.0358
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0062	0.0172	0.0342
Schistosoma mansoni	hypothetical protein	0.0062	0.0172	0.2722
Schistosoma mansoni	neuropeptide receptor	0.0062	0.0172	0.2722
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus multilocularis	g-protein coupled receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	hypothetical protein	0.0125	0.0568	0.9327
Brugia malayi	Serotonin receptor	0.0062	0.0172	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0574	0.0566
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0062	0.0172	0.0342
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0062	0.0172	0.0342
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0062	0.0172	0.2722
Loa Loa (eye worm)	phosphofructokinase	0.0131	0.0609	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	ankyrin 23/unc44	0.0125	0.0568	0.9327
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	neuropeptides capa receptor	0.0062	0.0172	0.0358
Onchocerca volvulus		0.0062	0.0172	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Echinococcus granulosus	g-protein coupled receptor	0.0062	0.0172	0.0358
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0062	0.0172	0.2722
Echinococcus multilocularis	somatostatin receptor	0.0062	0.0172	0.0342
Echinococcus multilocularis	neuropeptides capa receptor	0.0062	0.0172	0.0342
Echinococcus granulosus	netrin receptor unc 5	0.0125	0.0568	0.1186
Echinococcus multilocularis	orexin receptor type 2	0.0062	0.0172	0.0342
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0125	0.0568	0.056
Echinococcus multilocularis	neuropeptide Y receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	amine GPCR	0.0062	0.0172	0.2722
Brugia malayi	follicle stimulating hormone receptor	0.034	0.1924	0.1917
Echinococcus granulosus	fmrfamide receptor	0.0062	0.0172	0.0358
Brugia malayi	PAS domain containing protein	0.0059	0.0151	0.0143
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0125	0.0568	0.056
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0035	0.0005	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0078	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0062	0.0172	0.0164
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0312	0.0634
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0131	0.0609	1
Brugia malayi	hypothetical protein	0.0062	0.0172	0.0164
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0609	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164
Onchocerca volvulus		0.0062	0.0172	0.0158
Echinococcus granulosus	neuropeptide Y receptor	0.0062	0.0172	0.0358
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0062	0.0172	0.0342
Echinococcus multilocularis	6 phosphofructokinase	0.0131	0.0609	0.1255
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0062	0.0172	0.2722
Loa Loa (eye worm)	hypothetical protein	0.0905	0.5487	0.5483
Echinococcus granulosus	neuropeptide receptor	0.0062	0.0172	0.0358
Brugia malayi	Melatonin receptor type 1A	0.0062	0.0172	0.0164
Leishmania major	ATP-dependent phosphofructokinase	0.0131	0.0609	0.5
Brugia malayi	neuropeptide F receptor	0.0062	0.0172	0.0164
Echinococcus granulosus	tm gpcr rhodopsin	0.0062	0.0172	0.0358
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0005	0.5
Brugia malayi	Heterochromatin protein 1	0.0084	0.0312	0.0303
Echinococcus multilocularis	g protein coupled receptor	0.0062	0.0172	0.0342
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0062	0.0172	0.2722
Schistosoma mansoni	chromobox protein	0.0084	0.0312	0.505
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0164

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.2 nM	Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active	ChEMBL.	15664832
Ki (binding)	= 0.2 nM	Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active	ChEMBL.	15664832

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 317557