TDR Targets

Basic information

Technical information

TDR Targets ID: 77604
Name: 1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen- 1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-y l)piperazine
MW: 369.544 | Formula: C23H35N3O
H donors: 0 H acceptors: 0 LogP: 3.42 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)C(CCCN1CCN(CC1)C1=NCCCC1)CCC2
InChi: 1S/C23H35N3O/c1-27-21-11-10-20-7-4-6-19(22(20)18-21)8-5-13-25-14-16-26(17-15-25)23-9-2-3-12-24-23/h10-11,18-19H,2-9,12-17H2,1H3
InChiKey: NJMGAOHDZNCSFN-UHFFFAOYSA-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

1-[3-(7-methoxytetralin-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine
1-[3-(7-methoxy-1-tetralinyl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine
1-[3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(3,4,5,6-tetrahydropyridin-2-yl)piperazine
1-[3-(7-methoxytetralin-1-yl)propyl]-4-(3,4,5,6-tetrahydropyridin-2-yl)piperazine
1-[3-(7-methoxy-1-tetralinyl)propyl]-4-(3,4,5,6-tetrahydropyridin-2-yl)piperazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Homo sapiens	sigma non-opioid intracellular receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	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
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	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
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	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
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Candida albicans	sterol C8-C7 isomerase	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
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	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
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Niemann Pick C1 protein	0.0143	0.1946	0.1939
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0269	0.0261
Onchocerca volvulus		0.0037	0.0162	0.027
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0628	0.062
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0623	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0269	0.0269
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0059	0.0537	0.0529
Echinococcus multilocularis	slit 2 protein	0.0048	0.0359	0.0351
Schistosoma mansoni	nuclear receptor	0.0028	0.0015	0.0006
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0028	0.0015	0.0006
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0623	1	1
Brugia malayi	ecdysteroid receptor	0.0367	0.5703	0.57
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0623	1	0.5
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0055	0.0476	0.0468
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0269	0.0108
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0628	0.0628
Onchocerca volvulus		0.0055	0.0476	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0407	0.6375	0.6315
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0055	0.0476	0.0468
Entamoeba histolytica	rodhanase-like domain containing protein	0.0055	0.0476	0.2953
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0162	0.0162
Brugia malayi	nuclear receptor RXR	0.0031	0.0071	0.0062
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Schistosoma mansoni	thyroid hormone receptor	0.0059	0.0537	0.0529
Echinococcus granulosus	ecdysone induced protein 78C	0.0059	0.0537	0.0529
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0059	0.0537	0.0529
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0059	0.0537	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Brugia malayi	Pre-SET motif family protein	0.003	0.0058	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0367	0.5703	0.5703
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.0081	0.0073
Schistosoma mansoni	RAR-like nuclear receptor	0.0059	0.0537	0.0529
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0075	0.0803	0.0796
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0059	0.0537	0.0529
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0081	0.0024
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0059	0.0537	0.0529
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0081	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Loa Loa (eye worm)	DR-78	0.0028	0.0015	0.0015
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0059	0.0537	0.0529
Loa Loa (eye worm)	steroid hormone receptor	0.0059	0.0537	0.0537
Loa Loa (eye worm)	inositol-1	0.0038	0.0178	0.0178
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0162	0.0239
Trichomonas vaginalis	set domain proteins, putative	0.0241	0.3584	0.3478
Brugia malayi	photoreceptor-specific nuclear receptor	0.0059	0.0537	0.0529
Schistosoma mansoni	hypothetical protein	0.034	0.5258	0.5254
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0028	0.0015	0.0006
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0623	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0404	0.0404
Brugia malayi	TAR-binding protein	0.0064	0.0628	0.062
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0359	0.0359
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0398	0.039
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0008	0.0008
Schistosoma mansoni	coup transcription factor	0.0059	0.0537	0.0529
Echinococcus multilocularis	neurogenic locus notch protein	0.0048	0.0359	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Schistosoma mansoni	laminin gamma-3 chain	0.0048	0.0359	0.0351
Brugia malayi	Rhodanese-like domain containing protein	0.0055	0.0476	0.0468
Echinococcus granulosus	pikachurin	0.0048	0.0359	0.0351
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.3624	0.3624
Brugia malayi	EGF-like domain containing protein	0.0048	0.0359	0.0351
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0059	0.0537	0.0529
Onchocerca volvulus	Bile acid receptor homolog	0.0367	0.5703	1
Echinococcus multilocularis	pikachurin	0.0048	0.0359	0.0351
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0162	0.0154
Loa Loa (eye worm)	abnormal epIthelia family member	0.0048	0.0359	0.0359
Brugia malayi	beta-lactamase family protein	0.0037	0.0162	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0035	0.013	0.013
Schistosoma mansoni	nuclear receptor	0.0028	0.0015	0.0006
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0628	0.0628
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0031	0.0071	0.0062
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0628	0.062
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0398	0.0398
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0058	0.0049
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0162	0.0154
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0059	0.0537	0.0529
Brugia malayi	hypothetical protein	0.0031	0.0071	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0162	0.0162
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0178	0.0098
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0269	0.0269
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.7008	0.6984
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Brugia malayi	Steroid receptor seven-up type 2	0.0059	0.0537	0.0529
Schistosoma mansoni	hypothetical protein	0.034	0.5258	0.5254
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0028	0.0015	0.0011
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0162	0.0239
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.7008	0.6984
Schistosoma mansoni	nuclear hormone receptor	0.0028	0.0015	0.0006
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0162	0.0239
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0162	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0059	0.0537	0.0529
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0623	1	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0243	0.0235
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0031	0.0071	0.0062
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0162	0.0082
Brugia malayi	nuclear receptor NHR-88	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0059	0.0537	0.0529
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0059	0.0537	0.0537
Onchocerca volvulus		0.0028	0.0015	0.0011
Echinococcus granulosus	neurogenic locus notch protein	0.0048	0.0359	0.0351
Onchocerca volvulus		0.0055	0.0476	0.0821
Brugia malayi	hypothetical protein	0.0031	0.0071	0.0062
Echinococcus granulosus	biogenic amine 5HT receptor	0.0156	0.2172	0.2166
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0055	0.0476	0.0319
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0178	0.017
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.7008	0.6984
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0623	1	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.1226	0.1219
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0073
Onchocerca volvulus	Protein ultraspiracle homolog	0.0059	0.0537	0.0928
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0431	0.0431
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0178	0.0016
Brugia malayi	Nuclear hormone receptor-like 1	0.0059	0.0537	0.0529
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0623	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0059	0.0537	0.0537
Schistosoma mansoni	cell polarity protein	0.0048	0.0359	0.0351
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0162	0.0239
Brugia malayi	Rhodanese-like domain containing protein	0.0055	0.0476	0.0468
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0178	0.017
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0162	0.0105
Brugia malayi	nuclear receptor NHR-67	0.0028	0.0015	0.0006
Echinococcus multilocularis	serotonin receptor	0.0156	0.2172	0.2166
Brugia malayi	nuclear hormone receptor	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0178	0.0153
Echinococcus multilocularis	Niemann Pick C1 protein	0.0143	0.1946	0.1939
Echinococcus multilocularis	expressed protein	0.0379	0.5908	0.5904
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0073
Echinococcus granulosus	nuclear receptor nhr 48	0.0028	0.0015	0.0006
Onchocerca volvulus		0.0055	0.0476	0.0821
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0028	0.0015	0.0015
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0628	0.0628
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0623	1	1
Brugia malayi	laminin alpha chain	0.0048	0.0359	0.0351
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0178	0.0121
Echinococcus granulosus	expressed conserved protein	0.0094	0.1124	0.1117
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0055	0.0476	0.0319
Brugia malayi	nuclear receptor NHR-88	0.0028	0.0015	0.0006
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0162	0.0154
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0059	0.0537	0.0529
Schistosoma mansoni	hypothetical protein	0.0037	0.0162	0.0154
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0028	0.0015	0.0006
Onchocerca volvulus		0.0059	0.0537	0.0928
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0178	0.0098
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0623	1	1
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0206	0.3012	0.2955
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0628	0.062
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0059	0.0537	0.0529
Brugia malayi	hypothetical protein	0.0037	0.0162	0.0154
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0162	0.0239
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0059	0.0537	0.0529
Toxoplasma gondii	ABC1 family protein	0.0037	0.0162	0.0105
Echinococcus multilocularis	serotonin receptor	0.0156	0.2172	0.2166
Schistosoma mansoni	nuclear hormone receptor	0.0028	0.0015	0.0006
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0071	0.0062
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0059	0.0537	0.0529
Echinococcus granulosus	geminin	0.034	0.5258	0.5254
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0398	0.039
Schistosoma mansoni	zinc finger protein	0.0028	0.0015	0.0006
Brugia malayi	RNA binding protein	0.0064	0.0628	0.062
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0162	0.0082
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0032	0.0081	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0476	0.0476
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0476	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0359	0.0359
Schistosoma mansoni	patched 1	0.0043	0.0269	0.0261
Brugia malayi	beta-lactamase family protein	0.0037	0.0162	0.0154
Brugia malayi	hypothetical protein	0.0028	0.0015	0.0006
Schistosoma mansoni	thyroid hormone receptor	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0055	0.0476	0.0468
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.3624	0.3618
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0178	0.0016
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0071	0.0062
Echinococcus granulosus	FTZ F1 alpha	0.0059	0.0537	0.0529
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0216	0.3174	0.9134
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0059	0.0537	0.0529
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0162	0.0082
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0178	0.0098
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.1226	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0028	0.0015	0.0006
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0162	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Loa Loa (eye worm)	hypothetical protein	0.003	0.0058	0.0058
Entamoeba histolytica	rodhanase-like domain containing protein	0.0055	0.0476	0.2953
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0162	0.0239
Onchocerca volvulus		0.0028	0.0015	0.0011
Brugia malayi	CHE-14 protein	0.0043	0.0269	0.0261
Echinococcus granulosus	expressed protein	0.0379	0.5908	0.5904
Echinococcus multilocularis	geminin	0.034	0.5258	0.5254
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0048	0.0359	0.0351
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0048	0.0359	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Schistosoma mansoni	hypothetical protein	0.0035	0.013	0.0121
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0162	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Leishmania major	hypothetical protein, conserved	0.0037	0.0162	0.0082
Trichomonas vaginalis	cdc25b, putative	0.0055	0.0476	0.0319
Brugia malayi	steroid hormone receptor	0.0059	0.0537	0.0529
Echinococcus multilocularis	expressed conserved protein	0.0094	0.1124	0.1117
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0162	0.0239
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0178	0.0098
Onchocerca volvulus		0.003	0.0058	0.0086
Brugia malayi	nuclear receptor RXR	0.0028	0.0015	0.0006
Schistosoma mansoni	hypothetical protein	0.0041	0.0243	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0445	0.7008	0.7008
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0623	1	0.5
Brugia malayi	Pre-SET motif family protein	0.0211	0.3094	0.3089
Onchocerca volvulus		0.0055	0.0476	0.0821
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0623	1	1
Echinococcus multilocularis	protein patched	0.0043	0.0269	0.0261
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0628	0.062
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0055	0.0476	0.0319
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0031	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.1226	0.1219
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0028	0.0015	0.0006
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0623	1	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0073
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0398	0.0398
Brugia malayi	isocitrate dehydrogenase	0.0032	0.0081	0.0073
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.3094	0.3094
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Brugia malayi	Nuclear hormone receptor E75	0.0028	0.0015	0.0006
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0058	0.0049
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0031	0.0071	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.0537
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0162	0.0154
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0628	0.062
Echinococcus granulosus	thyroid hormone receptor alpha	0.0028	0.0015	0.0006
Schistosoma mansoni	retinoic acid receptor RXR	0.0059	0.0537	0.0529
Loa Loa (eye worm)	nuclear hormone receptor	0.0028	0.0015	0.0015
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0075	0.0803	0.0796
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0178	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0059	0.0537	0.0529
Brugia malayi	beta-lactamase	0.0037	0.0162	0.0154
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0059	0.0537	0.0529
Echinococcus multilocularis	FTZ F1 alpha	0.0059	0.0537	0.0529
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0055	0.0476	0.0319
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0269	0.0261
Brugia malayi	orphan nuclear receptor NR2E1	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0028	0.0015	0.0006
Brugia malayi	tailless protein	0.0028	0.0015	0.0006
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0112	0.0091
Trichomonas vaginalis	cdc25b, putative	0.0055	0.0476	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0227	0.3362	0.3362
Schistosoma mansoni	slit	0.0048	0.0359	0.0351
Onchocerca volvulus		0.0037	0.0162	0.027
Brugia malayi	hypothetical protein	0.0028	0.0015	0.0006
Onchocerca volvulus		0.0241	0.3586	0.6283
Onchocerca volvulus		0.0037	0.0162	0.027
Echinococcus multilocularis	nuclear receptor nhr 48	0.0028	0.0015	0.0006
Brugia malayi	nuclear hormone receptor family member odr-7	0.0028	0.0015	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0058	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0059	0.0537	0.0529
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0059	0.0537	0.0529
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0156	0.2172	0.2166
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0162	0.0239
Brugia malayi	Inositol-1	0.0038	0.0178	0.017
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0059	0.0537	0.0529
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0623	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0178	0.0016
Loa Loa (eye worm)	hypothetical protein	0.01	0.1226	0.1226
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor E75	0.0028	0.0015	0.0006
Brugia malayi	nuclear hormone receptor	0.0028	0.0015	0.0006
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0059	0.0537	0.0529
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0058	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0008	0.0008
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0623	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0048	0.0359	0.0351
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0059	0.0537	0.0529
Schistosoma mansoni	hypothetical protein	0.0041	0.0243	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0156	0.2172	0.2172
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0628	0.062
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0058	0.0049
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0178	0.017
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.0081	0.0073
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0162	0.0154
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0055	0.0476	0.0319
Brugia malayi	conserved hypotetical protein	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0407	0.6375	0.6354
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0028	0.0015	0.0015
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0162	0.0154
Brugia malayi	ecdysone receptor	0.0028	0.0015	0.0006
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0058	0.0049
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0058	0.0049
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0628	0.062
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0028	0.0015	0.0011
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.3468	1
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0623	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0269	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0059	0.0537	0.0529
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0059	0.0537	0.0537
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.7008	0.7006
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0059	0.0537	0.0529
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0623	1	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.2172	0.2172
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0073
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.013	0.0121
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0162	0.0154
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0162	0.0239
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.02	0.2912	0.2854
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0628	0.062
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0162	0.0162
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0028	0.0015	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0059	0.0537	0.0537
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0059	0.0537	0.0529
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0359	0.0359
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.0081	0.0073
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0071	0.0062
Echinococcus granulosus	slit 2 protein	0.0048	0.0359	0.0351
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0039	0.003
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0028	0.0015	0.0006
Schistosoma mansoni	hypothetical protein	0.0041	0.0243	0.0235
Trichomonas vaginalis	cdc25c, putative	0.0055	0.0476	0.0319
Entamoeba histolytica	rodhanase-like domain containing protein	0.0055	0.0476	0.2953
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0028	0.0015	0.0006
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0059	0.0537	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0623	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0059	0.0537	0.0529
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0028	0.0015	0.0006
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.0081	0.0073
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0162	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0059	0.0537	0.0529
Schistosoma mansoni	nuclear receptor nhr-48	0.0028	0.0015	0.0006
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0059	0.0537	0.0537
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0178	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0059	0.0537	0.0529
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0178	0.017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0059	0.0537	0.0537
Schistosoma mansoni	nuclear hormone receptor	0.0059	0.0537	0.0529
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.1226	0.1219
Echinococcus multilocularis	protein dispatched 1	0.0049	0.037	0.0362
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.1252	0.1245
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0059	0.0537	0.0928
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0059	0.0537	0.0529

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 91 %	Inhibitiory activity of the compound against sigma receptor isolated from guinea pig brain cortex membrane using PCP as radioligand at a concentration of 10e-5 M	ChEMBL.	8568804
Inhibition (binding)	= 91 %	Inhibitiory activity of the compound against sigma receptor isolated from guinea pig brain cortex membrane using PCP as radioligand at a concentration of 10e-5 M	ChEMBL.	8568804
Ki (binding)	= 29 nM	Inhibition of [3H]-DTG binding to sigma receptor from guinea pig brain cortex membrane	ChEMBL.	8568804
Ki (binding)	= 29 nM	Inhibition of [3H]-DTG binding to sigma receptor from guinea pig brain cortex membrane	ChEMBL.	8568804
Ki (binding)	= 414 nM	Displacement of [3H]-5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin	ChEMBL.	8568804
Ki (binding)	= 414 nM	Displacement of [3H]-5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin	ChEMBL.	8568804
Selectivity (binding)	= 14	Selectivity for 5-hydroxytryptamine 1A and sigma receptors	ChEMBL.	8568804

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: CHEMBL53938
PubChem: 10619110

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 77604