TDR Targets

Basic information

Technical information

TDR Targets ID: 44936
Name: N-[1-(cyclooctylmethyl)-1-prop-2-enylpiperidi n-1-ium-4-yl]-9H-xanthene-9-carboxamide bromi de
MW: 553.573 | Formula: C31H41BrN2O2
H donors: 1 H acceptors: 1 LogP: 8.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: C=CC[N+]1(CCC(CC1)NC(=O)C1c2ccccc2Oc2c1cccc2)CC1CCCCCCC1.[Br-]
InChi: 1S/C31H40N2O2.BrH/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30;/h2,8-11,14-17,24-25,30H,1,3-7,12-13,18-23H2;1H
InChiKey: BYVKOBXBZRBGCT-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-[1-allyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide
N-[1-allyl-1-(cyclooctylmethyl)-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide bromide
N-[1-(cyclooctylmethyl)-1-prop-2-enyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	chemokine (C-C motif) receptor 1	Starlite/ChEMBL	References
Homo sapiens	chemokine (C-C motif) receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	chemokine (C-C motif) receptor 1	355 aa	289 aa	21.8 %
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	chemokine (C-C motif) receptor 1	355 aa	363 aa	20.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	opsin-like receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0046	0.0101	0.0194
Echinococcus multilocularis	somatostatin receptor	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	RE15519p	0.0061	0.0894	0.0894
Echinococcus multilocularis	serotonin receptor	0.0061	0.0894	0.1172
Leishmania major	beta tubulin	0.0044	0	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptide receptor	0.0061	0.0894	0.1172
Echinococcus granulosus	neuropeptide FF receptor 2	0.0061	0.0894	0.0894
Schistosoma mansoni	growth hormone secretagogue receptor	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0144	0.5186	0.5186
Trichomonas vaginalis	hypothetical protein	0.0046	0.0101	0.0194
Echinococcus multilocularis	neuropeptide s receptor	0.0061	0.0894	0.1172
Brugia malayi	G-protein coupled receptor	0.0061	0.0894	0.0894
Entamoeba histolytica	tubulin family protein	0.0044	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Brugia malayi	putative neuropeptide receptor NPR1	0.0061	0.0894	0.0894
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0894	0.1172
Schistosoma mansoni	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	amine GPCR	0.0061	0.0894	0.0894
Brugia malayi	celfurPC protein	0.0191	0.7626	0.7626
Entamoeba histolytica	tubulin family protein	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0061	0.0894	0.0894
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0061	0.0894	0.0894
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0894	0.0894
Brugia malayi	neuropeptide F receptor	0.0061	0.0894	0.0894
Toxoplasma gondii	beta tubulin	0.0044	0	0.5
Onchocerca volvulus		0.0061	0.0894	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Echinococcus granulosus	somatostatin receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	fmrfamide receptor	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Trypanosoma brucei	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0061	0.0894	0.0894
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Schistosoma mansoni	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0061	0.0894	0.1172
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0061	0.0894	0.0894
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0046	0.0101	0.0194
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.0894	0.0894
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0061	0.0894	0.1172
Leishmania major	beta tubulin	0.0044	0	0.5
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.0894	0.1172
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Echinococcus granulosus	neuropeptide s receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptide receptor A26	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0061	0.0894	0.1172
Echinococcus multilocularis	fmrfamide receptor	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0061	0.0894	0.5
Onchocerca volvulus		0.0061	0.0894	0.5
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	hypothetical protein	0.0046	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	amine GPCR	0.0061	0.0894	0.0894
Echinococcus multilocularis	allatostatin A receptor	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0144	0.5186	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.0894	0.1172
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0061	0.0894	0.1172
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0061	0.0894	0.0894
Brugia malayi	sulfakinin receptor protein	0.0061	0.0894	0.0894
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	putative neuropeptide receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0894	0.1172
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	G protein coupled receptor 139	0.0061	0.0894	0.1172
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	g-protein coupled receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptide receptor	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0061	0.0894	0.1172
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	opsin-like receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	tyrosine kinase	0.0056	0.0615	0.0615
Echinococcus granulosus	7tm_1 domain containing protein	0.0061	0.0894	0.0894
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0093	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Brugia malayi	ORL1-like opioid receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0061	0.0894	0.1172
Schistosoma mansoni	myosin xvIII	0.0061	0.0894	0.0894
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0061	0.0894	0.0894
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0894	0.0894
Echinococcus granulosus	tm gpcr rhodopsin	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Loa Loa (eye worm)	G-protein coupled receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0044	0	0.5
Onchocerca volvulus		0.0061	0.0894	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.0894	0.1172
Echinococcus multilocularis	Furin 1	0.0056	0.0625	0.082
Echinococcus granulosus	hypothetical protein	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Echinococcus multilocularis		0.0191	0.7626	1
Brugia malayi	larval opioid receptor	0.0061	0.0894	0.0894
Brugia malayi	neuropeptide F receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	furin	0.0237	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0061	0.0894	0.0894
Brugia malayi	proprotein convertase 2	0.0149	0.5439	0.5439
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Plasmodium falciparum	tubulin beta chain	0.0044	0	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0144	0.5186	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	Dopamine receptor protein 1	0.0061	0.0894	0.0894
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0894	0.1172
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0061	0.0894	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0061	0.0894	0.1172
Echinococcus multilocularis	g protein coupled receptor	0.0061	0.0894	0.1172
Echinococcus granulosus	neuropeptides capa receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Brugia malayi	G-protein coupled receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	endoprotease bli-4	0.0237	1	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus granulosus	Furin 1	0.0056	0.0625	0.0625
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0046	0.0101	0.0194
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	epidermal growth factor receptor	0.0056	0.0615	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	sex peptide receptor	0.0061	0.0894	0.1172
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0056	0.0625	0.0625
Brugia malayi	Dopamine receptor protein 2	0.0061	0.0894	0.0894
Trypanosoma brucei	beta tubulin	0.0044	0	0.5
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptides capa receptor	0.0061	0.0894	0.1172
Echinococcus granulosus	neuropeptide receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Toxoplasma gondii	beta-1 tubulin, putative	0.0044	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0061	0.0894	0.1172
Leishmania major	beta tubulin	0.0044	0	0.5
Schistosoma mansoni	furin-1 (S08 family)	0.0103	0.3065	0.3065
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	neuropeptide receptor A26	0.0061	0.0894	0.0894
Brugia malayi	Serotonin receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	allatostatin A receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Onchocerca volvulus		0.0061	0.0894	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0144	0.5186	0.68
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0061	0.0894	0.0894
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	neuropeptide f receptor 76f	0.0061	0.0894	0.0894
Loa Loa (eye worm)	proprotein convertase 2	0.0056	0.0625	0.0625
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus granulosus	neuropeptide receptor	0.0061	0.0894	0.0894
Toxoplasma gondii	beta-tubulin, putative	0.0044	0	0.5
Echinococcus granulosus	neuroendocrine convertase 2	0.0149	0.5439	0.5439
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0237	1	1
Echinococcus granulosus	G protein coupled receptor 139	0.0061	0.0894	0.0894
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0894	0.0894
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	melatonin receptor type 1A	0.0061	0.0894	0.0894
Brugia malayi	Furin-like cysteine rich region family protein	0.0056	0.0615	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	adenoreceptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	TYRA-2 protein	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	serotonin receptor	0.0061	0.0894	0.1172
Schistosoma mansoni	neuropeptide receptor	0.0061	0.0894	0.0894
Plasmodium vivax	tubulin beta chain, putative	0.0044	0	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0061	0.0894	0.0894
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0056	0.0615	0.0615
Echinococcus granulosus	biogenic amine 5HT receptor	0.0061	0.0894	0.0894
Giardia lamblia	Furin precursor putative serine protease	0.0046	0.0101	0.044
Brugia malayi	Melatonin receptor type 1A	0.0061	0.0894	0.0894
Loa Loa (eye worm)	neuropeptide F receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0894	0.1172
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	neuropeptide Y receptor	0.0061	0.0894	0.1172
Echinococcus multilocularis	neuroendocrine convertase 2	0.0149	0.5439	0.7133
Giardia lamblia	High cysteine membrane protein Group 2	0.0088	0.2287	1
Echinococcus multilocularis	g-protein coupled receptor	0.0061	0.0894	0.1172
Echinococcus multilocularis	dro:myosuppressin receptor	0.0061	0.0894	0.1172
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0061	0.0894	0.1172
Echinococcus granulosus	dro:myosuppressin receptor	0.0061	0.0894	0.0894
Brugia malayi	hypothetical protein	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0061	0.0894	0.0894
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0061	0.0894	0.0894
Schistosoma mansoni	neuropeptide F-like receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	amine GPCR	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0061	0.0894	0.0894
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Echinococcus granulosus	orexin receptor type 2	0.0061	0.0894	0.0894
Echinococcus granulosus	serotonin receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Schistosoma mansoni	amine GPCR	0.0061	0.0894	0.0894
Leishmania major	beta tubulin	0.0044	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0101	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0061	0.0894	0.1172
Echinococcus multilocularis	orexin receptor type 2	0.0061	0.0894	0.1172
Brugia malayi	Dopamine receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	neuroendocrine convertase 1 precursor	0.0149	0.5439	0.5439
Schistosoma mansoni	histamine h1 receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0061	0.0894	0.0894
Trypanosoma brucei	beta tubulin	0.0044	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Brugia malayi	follicle stimulating hormone receptor	0.0061	0.0894	0.0894
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Onchocerca volvulus		0.0061	0.0894	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0056	0.0625	0.1205
Brugia malayi	G protein-coupled receptor F59B2.13	0.0061	0.0894	0.0894
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0061	0.0894	0.0894
Brugia malayi	G protein-coupled receptor	0.0061	0.0894	0.0894
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0061	0.0894	0.0894
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0061	0.0894	0.1172
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0061	0.0894	0.1172
Echinococcus granulosus	neuropeptide Y receptor	0.0061	0.0894	0.0894
Trypanosoma brucei	beta tubulin	0.0044	0	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0061	0.0894	0.0894
Echinococcus granulosus	sex peptide receptor	0.0061	0.0894	0.0894
Echinococcus granulosus	epidermal growth factor receptor	0.0056	0.0615	0.0615
Onchocerca volvulus		0.0061	0.0894	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Schistosoma mansoni	opsin-like receptor	0.0061	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0894	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	AKH receptor	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0237	1	1
Schistosoma mansoni	amine GPCR	0.0061	0.0894	0.0894
Brugia malayi	GnHR receptor homolog	0.0061	0.0894	0.0894
Echinococcus granulosus	rhodopsin orphan GPCR	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894
Brugia malayi	Serotonin receptor	0.0061	0.0894	0.0894
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0061	0.0894	0.1172
Schistosoma mansoni	hypothetical protein	0.0061	0.0894	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0894	0.0894

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.7 nM	Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.	ChEMBL.	11311066
IC50 (binding)	= 9.7 nM	Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.	ChEMBL.	11311066
IC50 (binding)	= 670 nM	Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.	ChEMBL.	11311066
IC50 (binding)	= 670 nM	Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.	ChEMBL.	11311066

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: CHEMBL33104
PubChem: 23283073

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 44936