TDR Targets

Basic information

Technical information

TDR Targets ID: 187691
Name: N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-2-y l)methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)m ethanamine
MW: 370.445 | Formula: C20H26N4O3
H donors: 1 H acceptors: 2 LogP: 2.42 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1OCC(O2)CNCC1CCN(CC1)c1ncccn1
InChi: 1S/C20H26N4O3/c1-25-17-4-2-5-18-19(17)26-14-16(27-18)13-21-12-15-6-10-24(11-7-15)20-22-8-3-9-23-20/h2-5,8-9,15-16,21H,6-7,10-14H2,1H3
InChiKey: ZWBHAGQLIGOXOP-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

N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(1-pyrimidin-2-yl-4-piperidyl)methanamine
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-[1-(2-pyrimidinyl)-4-piperidinyl]methanamine
(5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-[[1-(2-pyrimidyl)-4-piperidyl]methyl]amine
(5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-[(1-pyrimidin-2-yl-4-piperidyl)methyl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adrenoceptor alpha 1A	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1D		References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1B		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924
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_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
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	serotonin receptor	0.0025	0.0404	0.1028
Brugia malayi	Dopamine receptor protein 2	0.0025	0.0404	0.0808
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0042	0.0814	0.207
Echinococcus granulosus	7TM GPCR rhodopsin	0.0025	0.0404	0.1028
Onchocerca volvulus		0.0025	0.0404	0.5
Echinococcus multilocularis	serotonin receptor	0.0172	0.3932	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0433	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0025	0.0404	0.0404
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0043	0.0826	0.21
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Loa Loa (eye worm)	SRC-1	0.0042	0.0814	0.1626
Onchocerca volvulus		0.0025	0.0404	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0011	0.0059	0.015
Brugia malayi	putative neuropeptide receptor NPR1	0.0025	0.0404	0.0808
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0026	0.0433	1
Onchocerca volvulus		0.0025	0.0404	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0035	0.064	0.1628
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0404	0.0404
Brugia malayi	AKH receptor	0.0025	0.0404	0.0808
Onchocerca volvulus		0.0025	0.0404	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0178
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Echinococcus multilocularis	c src tyrosine kinase	0.0011	0.0069	0.0175
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0025	0.0404	0.0404
Brugia malayi	RE15519p	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0118
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0038	0.072	0.1832
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0025	0.0404	0.0808
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0026	0.0433	0.0433
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0011	0.0069	0.0175
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	amine GPCR	0.0025	0.0404	0.0404
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0025	0.0404	0.1028
Schistosoma mansoni	hypothetical protein	0.0025	0.0404	0.0404
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0019	0.0261	0.5386
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	Tyrosine-protein kinase abl-1	0.0011	0.0069	0.0137
Echinococcus granulosus	sex peptide receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	orexin receptor type 2	0.0025	0.0404	0.1028
Schistosoma mansoni	hypothetical protein	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0025	0.0404	0.0808
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0019	0.0261	0.0521
Brugia malayi	G-protein coupled receptor	0.0025	0.0404	0.0808
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0042	0.0814	0.207
Brugia malayi	putative neuropeptide receptor	0.0025	0.0404	0.0808
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0404	0.0404
Onchocerca volvulus		0.0025	0.0404	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0404	0.0404
Onchocerca volvulus		0.0025	0.0404	0.5
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0019	0.0262	0.541
Echinococcus granulosus	dro:myosuppressin receptor	0.0025	0.0404	0.1028
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0025	0.0404	0.0808
Echinococcus granulosus	tyrosine protein kinase HCK	0.0034	0.0624	0.1587
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0025	0.0404	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Brugia malayi	larval opioid receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	neuropeptide FF receptor 2	0.0025	0.0404	0.1028
Echinococcus granulosus	neuropeptide receptor A26	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0025	0.0404	0.1028
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0025	0.0404	0.0808
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0344	0.0688
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.0404	0.1028
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0025	0.0404	0.5
Onchocerca volvulus		0.0025	0.0404	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0019	0.0261	0.5386
Echinococcus granulosus	7tm_1 domain containing protein	0.0025	0.0404	0.1028
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0019	0.0261	0.0521
Onchocerca volvulus		0.0025	0.0404	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	g-protein coupled receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	phosphatidylinositol 3	0.0019	0.0261	0.0521
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	follicle stimulating hormone receptor	0.0025	0.0404	0.0808
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0025	0.0404	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Onchocerca volvulus		0.0025	0.0404	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0019	0.0261	0.4987
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0025	0.0404	0.0808
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.0404	0.1028
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.0404	0.0404
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0404	0.0404
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0019	0.0261	0.0663
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.072	0.1832
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0011	0.0059	0.0059
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Echinococcus multilocularis	allatostatin A receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0404	0.1028
Brugia malayi	neuropeptide F receptor	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	tyrosine kinase	0.0011	0.0069	0.0069
Echinococcus granulosus	c src tyrosine kinase	0.0011	0.0069	0.0175
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0011	0.0059	0.0118
Schistosoma mansoni	amine GPCR	0.0025	0.0404	0.0404
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0025	0.0404	0.1028
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.0404	0.0404
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Entamoeba histolytica	protein kinase, putative	0.0034	0.0624	1
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.0404	0.1028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0404	0.0404
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.0404	0.0404
Onchocerca volvulus		0.0025	0.0404	0.5
Brugia malayi	SRC-1	0.0042	0.0814	0.1626
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0042	0.0814	0.207
Echinococcus multilocularis	neuropeptide s receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0035	0.064	0.1628
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0025	0.0404	0.1028
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0026	0.0433	0.0865
Schistosoma mansoni	hypothetical protein	0.0025	0.0404	0.0404
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	dro:myosuppressin receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	serine protein kinase ATM	0.0026	0.0433	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0404	0.1028
Onchocerca volvulus		0.0025	0.0404	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0042	0.0814	0.207
Schistosoma mansoni	amine GPCR	0.0025	0.0404	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0019	0.0262	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	TK protein kinase	0.0038	0.072	0.1438
Schistosoma mansoni	myosin xvIII	0.0025	0.0404	0.0404
Schistosoma mansoni	histamine h1 receptor	0.0025	0.0404	0.0404
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Onchocerca volvulus		0.0025	0.0404	0.5
Onchocerca volvulus		0.0025	0.0404	0.5
Brugia malayi	Serine/threonine-protein kinase Nek7	0.0217	0.5008	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0038	0.072	0.1832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0042	0.0814	0.207
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	serotonin receptor	0.0172	0.3932	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0042	0.0814	0.207
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0042	0.0814	0.207
Loa Loa (eye worm)	NEK/NEK6 protein kinase	0.0217	0.5008	1
Loa Loa (eye worm)	TYRA-2 protein	0.0025	0.0404	0.0808
Trypanosoma cruzi	target of rapamycin kinase 3	0.0019	0.0261	0.5386
Echinococcus granulosus	biogenic amine 5HT receptor	0.0172	0.3932	1
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0404	0.1028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	G protein-coupled receptor F59B2.13	0.0025	0.0404	0.0808
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0025	0.0404	0.1028
Onchocerca volvulus		0.0025	0.0404	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0172	0.3932	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Onchocerca volvulus		0.0025	0.0404	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0025	0.0404	0.0808
Echinococcus granulosus	hypothetical protein	0.0025	0.0404	0.1028
Toxoplasma gondii	FATC domain-containing protein	0.0026	0.0433	1
Echinococcus granulosus	neuropeptide receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	g-protein coupled receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	phosphatidylinositol 3	0.0019	0.0261	0.0521
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0025	0.0404	0.0404
Echinococcus multilocularis	somatostatin receptor	0.0025	0.0404	0.1028
Schistosoma mansoni	tyrosine kinase	0.0011	0.0069	0.0069
Brugia malayi	GnHR receptor homolog	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Schistosoma mansoni	opsin-like receptor	0.0025	0.0404	0.0404
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Echinococcus granulosus	tyrosine protein kinase Blk	0.0038	0.072	0.1832
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0042	0.0814	0.207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	hypothetical protein	0.0025	0.0404	0.0404
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0034	0.0624	0.1587
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0019	0.0261	0.4987
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0404	0.1028
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0019	0.0261	0.0663
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.0404	0.1028
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Brugia malayi	Serotonin receptor	0.0025	0.0404	0.0808
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0025	0.0404	0.0808
Schistosoma mansoni	opsin-like receptor	0.0025	0.0404	0.0404
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0025	0.0404	0.1028
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0019	0.0261	0.0261
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.0404	0.1028
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	orexin receptor type 2	0.0025	0.0404	0.1028
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0011	0.0069	0.0069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3932	0.7852
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0019	0.0261	0.4987
Echinococcus granulosus	neuropeptide receptor	0.0025	0.0404	0.1028
Schistosoma mansoni	amine GPCR	0.0025	0.0404	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0404	0.0404
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0042	0.0814	0.207
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Entamoeba histolytica	hypothetical protein	0.0026	0.0433	0.6625
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Brugia malayi	Serotonin receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	tyrosine kinase	0.0038	0.072	0.1832
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.0404	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0019	0.0261	0.5386
Giardia lamblia	GTOR	0.0019	0.0261	0.5
Echinococcus granulosus	g protein coupled receptor	0.0025	0.0404	0.1028
Brugia malayi	Dopamine receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	neuropeptide s receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.0404	0.0808
Brugia malayi	G-protein coupled receptor	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	G protein-coupled receptor	0.0025	0.0404	0.0808
Echinococcus multilocularis	G protein coupled receptor 139	0.0025	0.0404	0.1028
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0404	0.0404
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0019	0.0261	0.5386
Echinococcus multilocularis	neuropeptide receptor A26	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Schistosoma mansoni	opsin-like receptor	0.0025	0.0404	0.0404
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0025	0.0404	0.5
Schistosoma mansoni	adenoreceptor	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	tyrosine kinase	0.0042	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	neuropeptide receptor	0.0025	0.0404	0.0404
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0025	0.0404	0.1028
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0025	0.0404	0.0404
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0019	0.0261	0.0663
Loa Loa (eye worm)	melatonin receptor type 1A	0.0025	0.0404	0.0808
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0025	0.0404	0.0808
Brugia malayi	sulfakinin receptor protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0025	0.0404	0.0808
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0019	0.0261	0.0663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Schistosoma mansoni	growth hormone secretagogue receptor	0.0025	0.0404	0.0404
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0025	0.0404	0.0404
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.0404	0.0808
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Brugia malayi	protein-tyrosine kinase	0.0038	0.072	0.1438
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0019	0.0261	0.3568
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	neuropeptide f receptor 76f	0.0025	0.0404	0.0404
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0023	0.0344	0.7623
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.5008	0.5008
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0042	0.0814	0.207
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0025	0.0404	0.0808
Onchocerca volvulus		0.0025	0.0404	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0019	0.0261	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Onchocerca volvulus		0.0025	0.0404	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0025	0.0404	0.0808
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0025	0.0404	0.1028
Brugia malayi	Dopamine receptor protein 1	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0011	0.0059	0.015
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0089	0.2052
Brugia malayi	Melatonin receptor type 1A	0.0025	0.0404	0.0808
Echinococcus granulosus	fmrfamide receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	allatostatin A receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	TK protein kinase	0.0034	0.0624	0.1246
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.0404	0.0404
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0019	0.0261	0.3568
Brugia malayi	ORL1-like opioid receptor	0.0025	0.0404	0.0808
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0019	0.0261	0.4987
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0038	0.072	0.1832
Echinococcus multilocularis	sex peptide receptor	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0059	0.1365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0089	0.2052
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0019	0.0261	0.0261
Schistosoma mansoni	tyrosine kinase	0.0042	0.0814	0.0814
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0019	0.0261	0.4987
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.0404	0.0404
Schistosoma mansoni	biogenic amine receptor	0.0025	0.0404	0.0404
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Echinococcus granulosus	G protein coupled receptor 139	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0026	0.0433	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0814	0.207
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.0404	0.1028
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Echinococcus multilocularis	serine protein kinase ATM	0.0026	0.0433	0.1102
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.0404	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Brugia malayi	neuropeptide F receptor	0.0025	0.0404	0.0808
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0025	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0011	0.0069	0.0175
Echinococcus granulosus	somatostatin receptor	0.0025	0.0404	0.1028
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.0404	0.1028
Chlamydia trachomatis	serine/threonine protein kinase	0.0217	0.5008	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.0404	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0019	0.0261	0.6016
Brugia malayi	hypothetical protein	0.0025	0.0404	0.0808
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0011	0.0069	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3932	0.7852

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	mg kg-1	The compound was tested for antagonistic activity against apomorphine induced climbing in the mouse after po administration; Not tested	ChEMBL.	10464021
ED50 (functional)	0 mg kg-1	The compound was tested for antagonistic activity against apomorphine induced climbing in the mouse after po administration; Not tested	ChEMBL.	10464021
ED50 (functional)	0 mg kg-1	Induction of catalepsy in rat after ip administration; Not tested	ChEMBL.	10464021
Ki (binding)	= 64 nM	Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes	ChEMBL.	10464021
Ki (binding)	= 64 nM	Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes	ChEMBL.	10464021
Ki (binding)	= 128 nM	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand	ChEMBL.	10464021
Ki (binding)	= 128 nM	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand	ChEMBL.	10464021
Ki (binding)	= 234 nM	Binding affinity towards Alpha-1 adrenergic receptor in human cortex membranes	ChEMBL.	10464021
Ki (binding)	= 234 nM	Binding affinity towards Alpha-1 adrenergic receptor in human cortex membranes	ChEMBL.	10464021

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: CHEMBL115990
PubChem: 10666853

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 187691