TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 402.754 | Formula: C18H25BrClNO2
H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(cc1)Br.Cl
InChi: 1S/C18H24BrNO2.ClH/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21;/h5-8,14,16-17,21H,1-4,9-12H2;1H/t16-,17-;/m1./s1
InChiKey: HMFMEQUORHBVTC-GBNZRNLASA-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
Cavia porcellus	Sigma-1 receptor	Starlite/ChEMBL	References
Torpedo californica	Vesicular acetylcholine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	Get druggable targets OG5_133283	All targets in OG5_133283
Echinococcus granulosus	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative	Get druggable targets OG5_133283	All targets in OG5_133283
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	vesicular acetylcholine transporter unc-17	Get druggable targets OG5_133283	All targets in OG5_133283
Echinococcus multilocularis	vesicular acetylcholine transporter	Get druggable targets OG5_133283	All targets in OG5_133283
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	515 aa	431 aa	37.6 %
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	Vesicular acetylcholine transporter	515 aa	427 aa	38.6 %
Onchocerca volvulus		Vesicular acetylcholine transporter	515 aa	456 aa	53.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	biogenic amine receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	geminin	0.0168	0.3507	0.5217
Schistosoma mansoni	hypothetical protein	0.0168	0.3507	0.5217
Brugia malayi	Dopamine receptor protein 1	0.002	0.0027	0.0027
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	dro:myosuppressin receptor	0.002	0.0027	0.0041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	neuropeptide receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.002	0.0027	0.0027
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0113	0.0113
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	0.0027	0.0041
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	hypothetical protein	0.002	0.0027	0.0041
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.002	0.0027	0.0041
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0113	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptide Y receptor	0.002	0.0027	0.0041
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0063	0.0063
Brugia malayi	putative neuropeptide receptor	0.002	0.0027	0.0027
Echinococcus multilocularis	sex peptide receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.002	0.0027	0.0041
Schistosoma mansoni	ran	0.0021	0.0063	0.0094
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	0.0027	0.0041
Schistosoma mansoni	neuropeptide receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	somatostatin receptor	0.002	0.0027	0.0041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	adenoreceptor	0.002	0.0027	0.0041
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.0027	0.0041
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0063	0.2627
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	7TM GPCR rhodopsin	0.002	0.0027	0.0041
Echinococcus granulosus	importin subunit beta 1	0.0029	0.024	0.0357
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Trichomonas vaginalis	ran, putative	0.0021	0.0063	0.5568
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	neuropeptides capa receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	neuropeptide Y receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.0027	0.0041
Echinococcus granulosus	dro:myosuppressin receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.6722	0.6722
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0633	0.0941
Schistosoma mansoni	neuropeptide F-like receptor	0.002	0.0027	0.0041
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0063	0.0094
Echinococcus multilocularis	fmrfamide receptor	0.002	0.0027	0.0041
Plasmodium falciparum	importin beta, putative	0.0029	0.024	1
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0267	0.5832	0.5832
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	orexin receptor type 2	0.002	0.0027	0.0041
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0633	0.0941
Brugia malayi	follicle stimulating hormone receptor	0.002	0.0027	0.0027
Schistosoma mansoni	amine GPCR	0.002	0.0027	0.0041
Brugia malayi	Melatonin receptor type 1A	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptides capa receptor	0.002	0.0027	0.0041
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	geminin	0.0168	0.3507	0.5217
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	neuropeptide f receptor 76f	0.002	0.0027	0.0041
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.0027	0.0041
Leishmania major	GTP-binding protein, putative	0.0021	0.0063	0.0063
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	neuropeptides capa receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Brugia malayi	putative neuropeptide receptor NPR1	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0063	0.0094
Schistosoma mansoni	neuropeptide receptor	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.0168	0.3507	0.5217
Loa Loa (eye worm)	neuropeptide F receptor	0.002	0.0027	0.0027
Echinococcus granulosus	neuropeptide Y receptor	0.002	0.0027	0.0041
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	G protein coupled receptor 139	0.002	0.0027	0.0041
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptide receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	sulfakinin receptor protein	0.002	0.0027	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptide s receptor	0.002	0.0027	0.0041
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0	0.5
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0113	0.0113
Echinococcus multilocularis	g protein coupled receptor	0.002	0.0027	0.0041
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	alpha 1A adrenergic receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0633	0.0941
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	serotonin receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.002	0.0027	0.0041
Echinococcus granulosus	7tm_1 domain containing protein	0.002	0.0027	0.0041
Echinococcus granulosus	peptide allatostatin:somatostatin	0.002	0.0027	0.0041
Echinococcus multilocularis	g-protein coupled receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	G protein-coupled receptor	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptide FF receptor 2	0.002	0.0027	0.0041
Leishmania major	C-8 sterol isomerase-like protein	0.0445	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.002	0.0027	0.0041
Echinococcus granulosus	serotonin receptor	0.002	0.0027	0.0041
Echinococcus granulosus	g protein coupled receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.002	0.0027	0.0027
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.002	0.0027	0.0041
Echinococcus granulosus	sex peptide receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.002	0.0027	0.0027
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.002	0.0027	0.0027
Schistosoma mansoni	amine GPCR	0.002	0.0027	0.0041
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.002	0.0027	0.0041
Brugia malayi	Serotonin receptor	0.002	0.0027	0.0027
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0633	0.0941
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0113	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	Dopamine receptor protein 2	0.002	0.0027	0.0027
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0063	0.2627
Schistosoma mansoni	biogenic amine receptor	0.002	0.0027	0.0041
Brugia malayi	Serotonin receptor	0.002	0.0027	0.0027
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	G protein coupled receptor 139	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0445	1	1
Schistosoma mansoni	opsin-like receptor	0.002	0.0027	0.0041
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	G-protein coupled receptor	0.002	0.0027	0.0027
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	neuropeptide receptor A26	0.002	0.0027	0.0041
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0633	0.0941
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Schistosoma mansoni	opsin-like receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	neuropeptide receptor	0.002	0.0027	0.0041
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.002	0.0027	0.0041
Schistosoma mansoni	importin beta-1	0.0029	0.024	0.0357
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0633	0.0941
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	neuropeptides capa receptor	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.0305	0.6722	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0113	1
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0267	0.5832	0.5832
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0063	0.0063
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.0027	0.0041
Echinococcus granulosus	g protein coupled receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0029	0.024	0.024
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0063	0.0063
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.002	0.0027	0.0041
Entamoeba histolytica	Ran family GTPase	0.0021	0.0063	0.5568
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	0.0027	0.0041
Echinococcus granulosus	g-protein coupled receptor	0.002	0.0027	0.0041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0267	0.5832	0.8677
Brugia malayi	RE15519p	0.002	0.0027	0.0027
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.024	0.0357
Echinococcus granulosus	neuropeptide receptor	0.002	0.0027	0.0041
Echinococcus granulosus	somatostatin receptor	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.002	0.0027	0.0041
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.002	0.0027	0.0027
Schistosoma mansoni	myosin xvIII	0.002	0.0027	0.0041
Echinococcus multilocularis	snurportin 1	0.0305	0.6722	1
Brugia malayi	GnHR receptor homolog	0.002	0.0027	0.0027
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.002	0.0027	0.0041
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.002	0.0027	0.0041
Schistosoma mansoni	neuropeptide receptor	0.002	0.0027	0.0041
Brugia malayi	ORL1-like opioid receptor	0.002	0.0027	0.0027
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	neuropeptide Y receptor	0.002	0.0027	0.0041
Schistosoma mansoni	amine GPCR	0.002	0.0027	0.0041
Echinococcus multilocularis	serotonin receptor	0.002	0.0027	0.0041
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	0.0027	0.0041
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Echinococcus granulosus	orexin receptor type 2	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.0027	0.0041
Echinococcus granulosus	neuropeptide FF receptor 2	0.002	0.0027	0.0041
Loa Loa (eye worm)	G-protein coupled receptor	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	neuropeptide F receptor	0.002	0.0027	0.0027
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.002	0.0027	0.0041
Echinococcus granulosus	allatostatin A receptor	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0227	0.4901	0.4901
Schistosoma mansoni	opsin-like receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	neuropeptide s receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	g protein coupled receptor	0.002	0.0027	0.0041
Brugia malayi	G protein-coupled receptor F59B2.13	0.002	0.0027	0.0027
Brugia malayi	G-protein coupled receptor	0.002	0.0027	0.0027
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.024	0.024
Echinococcus granulosus	fmrfamide receptor	0.002	0.0027	0.0041
Brugia malayi	neuropeptide F receptor	0.002	0.0027	0.0027
Schistosoma mansoni	histamine h1 receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.002	0.0027	0.0041
Schistosoma mansoni	growth hormone secretagogue receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Brugia malayi	larval opioid receptor	0.002	0.0027	0.0027
Schistosoma mansoni	amine GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.002	0.0027	0.0041
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	0.0027	0.0041
Echinococcus granulosus	tachykinin peptides receptor 99D	0.002	0.0027	0.0041
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	biogenic amine receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	G-protein coupled receptor, putative	0.002	0.0027	0.0041
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.002	0.0027	0.0041
Schistosoma mansoni	neuropeptide F-like receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	TYRA-2 protein	0.002	0.0027	0.0027
Brugia malayi	Importin beta-1 subunit	0.0029	0.024	0.024
Echinococcus multilocularis	neuropeptide receptor A26	0.002	0.0027	0.0041
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.002	0.0027	0.0027
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.002	0.0027	0.0041
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0267	0.5832	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	G-protein coupled receptor	0.002	0.0027	0.0027
Echinococcus granulosus	g protein coupled receptor	0.002	0.0027	0.0041
Schistosoma mansoni	hypothetical protein	0.002	0.0027	0.0041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0633	0.0941
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0063	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus granulosus	snurportin 1	0.0305	0.6722	1
Schistosoma mansoni	vesicular acetylcholine transporter	0.0267	0.5832	0.8677
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	alpha-1 adrenergic receptor	0.002	0.0027	0.0041
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.002	0.0027	0.0041
Schistosoma mansoni	amine GPCR	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	Tachykinin-like peptides receptor 99D	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	RNA, U transporter 1	0.0081	0.1475	0.1475
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	fmrfamide receptor	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.0027	0.0041
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.024	1
Echinococcus multilocularis	neuropeptide receptor	0.002	0.0027	0.0041
Brugia malayi	Dopamine receptor	0.002	0.0027	0.0027
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	0.0027	0.0041
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.0027	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	neuropeptide F receptor	0.002	0.0027	0.0027
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0063	0.2627
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Echinococcus multilocularis	allatostatin A receptor	0.002	0.0027	0.0041
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	0.0027	0.0041
Schistosoma mansoni	ran	0.0021	0.0063	0.0094
Plasmodium vivax	importin-beta 2, putative	0.0029	0.024	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.002	0.0027	0.0027
Echinococcus granulosus	vesicular acetylcholine transporter	0.0267	0.5832	0.8677
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.0027	0.0041
Echinococcus multilocularis	g protein coupled receptor	0.002	0.0027	0.0041
Entamoeba histolytica	hypothetical protein	0.0023	0.0113	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.0027	0.0041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.0027	0.0041
Brugia malayi	AKH receptor	0.002	0.0027	0.0027
Loa Loa (eye worm)	melatonin receptor type 1A	0.002	0.0027	0.0027
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 15.91 nM	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting	ChEMBL.	20218624
Ki (binding)	= 51.4 nM	Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles	ChEMBL.	20218624

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: CHEMBL1204032

Bibliographic References

No literature references available for this target.

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Detailed information for compound 941536