TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 521.476 | Formula: C27H34Cl2N2O4
H donors: 1 H acceptors: 2 LogP: 3.8 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccccc1C[C@H](N1CCC(CC1)CN1CCC(CC1)Oc1ccc(c(c1)Cl)Cl)C(=O)O
InChi: 1S/C27H34Cl2N2O4/c1-34-26-5-3-2-4-20(26)16-25(27(32)33)31-14-8-19(9-15-31)18-30-12-10-21(11-13-30)35-22-6-7-23(28)24(29)17-22/h2-7,17,19,21,25H,8-16,18H2,1H3,(H,32,33)/t25-/m0/s1
InChiKey: VOPUEJLKUSXAOZ-VWLOTQADSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 3	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H1	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	serotonin receptor	0.001	0.025	0.025
Brugia malayi	Tachykinin-like peptides receptor 99D	0.001	0.025	0.025
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.001	0.025	0.025
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.025	0.025
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.025	0.025
Echinococcus granulosus	tachykinin peptides receptor 99D	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	G-protein coupled receptor	0.001	0.025	0.025
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.5063	0.5063
Echinococcus granulosus	zinc finger protein 598	0.0073	0.993	0.993
Brugia malayi	larval opioid receptor	0.001	0.025	0.025
Echinococcus multilocularis	fmrfamide receptor	0.001	0.025	0.025
Echinococcus granulosus	allatostatin A receptor	0.001	0.025	0.025
Loa Loa (eye worm)	brix domain-containing protein	0.0074	1	1
Echinococcus multilocularis	somatostatin receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.6148	0.6148
Echinococcus multilocularis	G protein coupled receptor 139	0.001	0.025	0.025
Schistosoma mansoni	amine GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.001	0.025	0.025
Schistosoma mansoni	myosin xvIII	0.001	0.025	0.025
Brugia malayi	G-protein coupled receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.025	0.025
Brugia malayi	GnHR receptor homolog	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	dro:myosuppressin receptor	0.001	0.025	0.025
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.001	0.025	0.025
Brugia malayi	Dopamine receptor protein 2	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Brugia malayi	putative neuropeptide receptor NPR1	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	g protein coupled receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.025	0.025
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.025	0.025
Echinococcus granulosus	orexin receptor type 2	0.001	0.025	0.025
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.5516	0.5516
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.025	0.025
Trypanosoma brucei	brix domain containing protein, putative	0.0074	1	0.5
Brugia malayi	Serotonin receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.001	0.025	0.025
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.5516	0.5516
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.025	0.025
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	amine GPCR	0.001	0.025	0.025
Brugia malayi	RE15519p	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.025	0.025
Brugia malayi	Dopamine receptor	0.001	0.025	0.025
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.001	0.025	0.025
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.001	0.025	0.025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.025	0.025
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.025	0.025
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide receptor	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide receptor A26	0.001	0.025	0.025
Schistosoma mansoni	adenoreceptor	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide FF receptor 2	0.001	0.025	0.025
Schistosoma mansoni	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.025	0.025
Brugia malayi	follicle stimulating hormone receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	fmrfamide receptor	0.001	0.025	0.025
Echinococcus multilocularis	sex peptide receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.025	0.025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.025	0.025
Schistosoma mansoni	opsin-like receptor	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.025	0.025
Schistosoma mansoni	amine GPCR	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0632	0.0632
Echinococcus granulosus	neuropeptide receptor A26	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide receptor	0.001	0.025	0.025
Schistosoma mansoni	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	7tm_1 domain containing protein	0.001	0.025	0.025
Brugia malayi	G protein-coupled receptor	0.001	0.025	0.025
Brugia malayi	Melatonin receptor type 1A	0.001	0.025	0.025
Onchocerca volvulus	Peter pan protein homolog	0.0074	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.5063	0.5063
Echinococcus multilocularis	serotonin receptor	0.001	0.025	0.025
Trypanosoma cruzi	peter pan protein, putative	0.0074	1	0.5
Echinococcus multilocularis	neuropeptide receptor	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.025	0.025
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0632	0.0632
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.001	0.025	0.025
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine receptor	0.001	0.025	0.025
Schistosoma mansoni	neuropeptide receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	g-protein coupled receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.025	0.025
Echinococcus granulosus	peter pan	0.0074	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Schistosoma mansoni	opsin-like receptor	0.001	0.025	0.025
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.001	0.025	0.025
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine receptor	0.001	0.025	0.025
Echinococcus granulosus	alpha 1A adrenergic receptor	0.001	0.025	0.025
Brugia malayi	ORL1-like opioid receptor	0.001	0.025	0.025
Brugia malayi	AKH receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Trypanosoma cruzi	peter pan protein, putative	0.0074	1	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.001	0.025	0.025
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.025	0.025
Echinococcus granulosus	g protein coupled receptor	0.001	0.025	0.025
Schistosoma mansoni	amine GPCR	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Echinococcus granulosus	somatostatin receptor	0.001	0.025	0.025
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide s receptor	0.001	0.025	0.025
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.025	0.025
Echinococcus granulosus	g-protein coupled receptor	0.001	0.025	0.025
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0632	0.0632
Echinococcus granulosus	g protein coupled receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	Serotonin receptor	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0632	0.0632
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.5516	0.5516
Toxoplasma gondii	brix domain-containing protein	0.0074	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.025	0.025
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0632	0.0632
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.025	0.025
Echinococcus multilocularis	peter pan	0.0074	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide s receptor	0.001	0.025	0.025
Leishmania major	peter pan protein, putative	0.0074	1	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.025	0.025
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.001	0.025	0.025
Schistosoma mansoni	amine GPCR	0.001	0.025	0.025
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.025	0.025
Entamoeba histolytica	brix domain containing protein	0.0074	1	0.5
Schistosoma mansoni	hypothetical protein	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	peter pan-related	0.0074	1	1
Giardia lamblia	Peter pan protein	0.0074	1	0.5
Schistosoma mansoni	biogenic amine receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Plasmodium vivax	hypothetical protein, conserved	0.0074	1	0.5
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0632	0.0632
Echinococcus granulosus	sex peptide receptor	0.001	0.025	0.025
Echinococcus multilocularis	orexin receptor type 2	0.001	0.025	0.025
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.025	0.025
Echinococcus granulosus	dro:myosuppressin receptor	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.001	0.025	0.025
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0632	0.0632
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.025	0.025
Echinococcus granulosus	G protein coupled receptor 139	0.001	0.025	0.025
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.025	0.025
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.5516	0.5516
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Schistosoma mansoni	opsin-like receptor	0.001	0.025	0.025
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.6148	0.6148
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	neuropeptide receptor	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	melatonin receptor type 1A	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	neuropeptide receptor	0.001	0.025	0.025
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.001	0.025	0.025
Trichomonas vaginalis	ssf, putative	0.0074	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide receptor	0.001	0.025	0.025
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.025	0.025
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0632	0.0632
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Schistosoma mansoni	histamine h1 receptor	0.001	0.025	0.025
Echinococcus multilocularis	serotonin receptor	0.001	0.025	0.025
Echinococcus granulosus	g protein coupled receptor	0.001	0.025	0.025
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	putative neuropeptide receptor	0.001	0.025	0.025
Brugia malayi	neuropeptide F receptor	0.001	0.025	0.025
Echinococcus multilocularis	zinc finger protein 598	0.0073	0.993	0.993
Plasmodium falciparum	BRIX domain, putative	0.0074	1	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.001	0.025	0.025
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Schistosoma mansoni	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.001	0.025	0.025
Schistosoma mansoni	neuropeptide receptor	0.001	0.025	0.025
Brugia malayi	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	allatostatin A receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus multilocularis	g protein coupled receptor	0.001	0.025	0.025
Brugia malayi	G protein-coupled receptor F59B2.13	0.001	0.025	0.025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.025	0.025
Schistosoma mansoni	peter pan-related	0.0074	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	TYRA-2 protein	0.001	0.025	0.025
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.001	0.025	0.025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.025	0.025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	hypothetical protein	0.001	0.025	0.025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	neuropeptide F receptor	0.001	0.025	0.025
Echinococcus granulosus	7TM GPCR rhodopsin	0.001	0.025	0.025
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Brugia malayi	sulfakinin receptor protein	0.001	0.025	0.025
Echinococcus multilocularis	G-protein coupled receptor, putative	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.4608	0.4608
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.025	0.025
Echinococcus multilocularis	fmrfamide receptor	0.001	0.025	0.025
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.001	0.025	0.025
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.025	0.025
Brugia malayi	Dopamine receptor protein 1	0.001	0.025	0.025
Echinococcus multilocularis	g protein coupled receptor	0.001	0.025	0.025
Echinococcus granulosus	neuropeptide FF receptor 2	0.001	0.025	0.025
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.001	0.025	0.025

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5	Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs by TopCount analysis	ChEMBL.	23021991
Ki (binding)	= 7.2	Binding affinity to histamine H1 receptor	ChEMBL.	23021991
Ki (binding)	= 8.4	Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay	ChEMBL.	23021991

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: CHEMBL2158775

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1715980