TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 512.669 | Formula: C29H32N6OS
H donors: 0 H acceptors: 4 LogP: 5.59 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1CCc2c(CC1)c(C)c1c(c2)nc(o1)C
InChi: 1S/C29H32N6OS/c1-18-9-10-23-24(7-5-8-25(23)30-18)28-32-33-29(34(28)4)37-16-6-13-35-14-11-21-17-26-27(36-20(3)31-26)19(2)22(21)12-15-35/h5,7-10,17H,6,11-16H2,1-4H3
InChiKey: ACRMNEFOWLXFLY-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	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
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
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
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Loa Loa (eye worm)	voltage and ligand gated potassium channel	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
Echinococcus multilocularis	potassium voltage gated channel subfamily H	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	amine GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	G-protein coupled receptor	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0009	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	g-protein coupled receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0009	0.0129	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0461	0.0461
Echinococcus multilocularis	neuropeptide receptor A26	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0129	0.0129
Loa Loa (eye worm)	melatonin receptor type 1A	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.0144	0.0144
Brugia malayi	GnHR receptor homolog	0.0009	0.0129	0.0129
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0009	0.0129	0.0129
Plasmodium falciparum	ribosomal RNA methyltransferase, putative	0.0007	0	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0009	0.0129	0.0129
Giardia lamblia	Cathepsin B precursor	0.0045	0.2939	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Giardia lamblia	Cathepsin B precursor	0.0045	0.2939	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.2913	0.2913
Schistosoma mansoni	opsin-like receptor	0.0009	0.0129	0.0129
Brugia malayi	G-protein coupled receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0009	0.0129	0.0129
Brugia malayi	G protein-coupled receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0009	0.0129	0.0129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0136	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0009	0.0129	0.0129
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0009	0.0144	0.0144
Echinococcus multilocularis	neuropeptide Y receptor	0.0009	0.0129	0.0129
Brugia malayi	Melatonin receptor type 1A	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptides capa receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide s receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	cathepsin b	0.0136	1	1
Brugia malayi	larval opioid receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	orexin receptor type 2	0.0009	0.0129	0.0129
Echinococcus granulosus	7TM GPCR rhodopsin	0.0009	0.0129	0.0129
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0009	0.0144	0.0144
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0009	0.0129	0.0129
Echinococcus granulosus	sex peptide receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Brugia malayi	ORL1-like opioid receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	allatostatin A receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0129	0.0129
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.0144	0.0491
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0009	0.0129	0.0129
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0009	0.0129	1
Brugia malayi	Dopamine receptor protein 1	0.0009	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0009	0.0129	0.0129
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0009	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptide s receptor	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0129	0.0129
Brugia malayi	Serotonin receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	G protein coupled receptor 139	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Brugia malayi	Serotonin receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	opsin-like receptor	0.0009	0.0129	0.0129
Plasmodium vivax	FtsJ-like methyltransferase, putative	0.0007	0	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide Y receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0006	0.0006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0129	0.0129
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0009	0.0129	0.0129
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0045	0.2939	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.2913	0.2913
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.0144	0.0144
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0144	0.0144
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0009	0.0129	0.0129
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0129	0.0129
Loa Loa (eye worm)	neuropeptide F receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	biogenic amine 5HT receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptide receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	sex peptide receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.0144	0.0144
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0045	0.2939	1
Onchocerca volvulus		0.0009	0.0129	1
Schistosoma mansoni	histamine h1 receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	cathepsin B	0.0045	0.2939	0.2939
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0009	0.0129	0.0129
Brugia malayi	G protein-coupled receptor F59B2.13	0.0009	0.0129	0.0129
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0009	0.0129	0.0129
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.2913	0.2913
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0009	0.0144	0.0144
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.0144	0.0144
Onchocerca volvulus		0.0009	0.0129	1
Plasmodium falciparum	large subunit rRNA methyltransferase, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Brugia malayi	sulfakinin receptor protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0144	0.0144
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	serotonin receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0136	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.2685	0.9137
Schistosoma mansoni	hypothetical protein	0.0009	0.0129	0.0129
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	G protein coupled receptor 139	0.0009	0.0129	0.0129
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	TYRA-2 protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	somatostatin receptor	0.0009	0.0129	0.0129
Brugia malayi	putative neuropeptide receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0009	0.0129	0.0129
Plasmodium vivax	ribosomal RNA large subunit methyltransferase J, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2457	0.2457
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0009	0.0129	1
Brugia malayi	follicle stimulating hormone receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0009	0.0144	0.0144
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0136	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptide receptor	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	growth hormone secretagogue receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptide Y receptor	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0009	0.0129	0.0129
Echinococcus granulosus	fmrfamide receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	serotonin receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.0144	0.0144
Echinococcus multilocularis	serotonin receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0129	0.0129
Treponema pallidum	cell division protein (ftsJ)	0.0007	0	0.5
Onchocerca volvulus		0.0009	0.0129	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0129	0.0129
Brugia malayi	Dopamine receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	fmrfamide receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0009	0.0144	0.0144
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0009	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	dro:myosuppressin receptor	0.0009	0.0129	0.0129
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0009	0.0129	0.0129
Echinococcus multilocularis	cathepsin b	0.0136	1	1
Brugia malayi	RE15519p	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.323	0.323
Echinococcus granulosus	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	allatostatin A receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0136	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.2913	0.2913
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	neuropeptide F receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0009	0.0129	0.0129
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0461	0.0461
Onchocerca volvulus		0.0009	0.0129	1
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0009	0.0129	0.0129
Toxoplasma gondii	cathepsin B	0.0045	0.2939	1
Echinococcus multilocularis	orexin receptor type 2	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0009	0.0129	0.0129
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0144	0.0144
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.323	0.323
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.0144	0.0144
Brugia malayi	Dopamine receptor protein 2	0.0009	0.0129	0.0129
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0461	0.0461
Schistosoma mansoni	adenoreceptor	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptides capa receptor	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0009	0.0129	0.0129
Echinococcus granulosus	cathepsin b	0.0136	1	1
Echinococcus granulosus	cathepsin b	0.0136	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0461	0.0461
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	7tm_1 domain containing protein	0.0009	0.0129	0.0129
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0009	0.0129	0.0129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0045	0.2939	0.2939
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0144	0.0144
Schistosoma mansoni	opsin-like receptor	0.0009	0.0129	0.0129
Echinococcus multilocularis	fmrfamide receptor	0.0009	0.0129	0.0129
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.2685	0.9137
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0009	0.0129	0.0129
Schistosoma mansoni	60S ribosomal protein L21	0.0007	0.0006	0.0006
Echinococcus multilocularis	g-protein coupled receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0136	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Brugia malayi	neuropeptide F receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide receptor A26	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Giardia lamblia	Cathepsin B precursor	0.0045	0.2939	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0045	0.2939	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0129	0.0129
Entamoeba histolytica	ribosomal RNA methyltransferase, putative	0.0007	0	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0009	0.0129	0.0129
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.0144	0.0491
Echinococcus granulosus	biogenic amine 5HT receptor	0.0009	0.0129	0.0129
Brugia malayi	putative neuropeptide receptor NPR1	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0009	0.0129	0.0129
Brugia malayi	AKH receptor	0.0009	0.0129	0.0129
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	myosin xvIII	0.0009	0.0129	0.0129
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0461	0.0461
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129
Brugia malayi	neuropeptide F receptor	0.0009	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0129	0.0129
Echinococcus granulosus	neuropeptide Y receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	somatostatin receptor	0.0009	0.0129	0.0129
Brugia malayi	G-protein coupled receptor	0.0009	0.0129	0.0129
Onchocerca volvulus		0.0009	0.0129	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0129	0.0129
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.0144	0.0144
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.0144	0.0144
Onchocerca volvulus		0.0009	0.0129	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0136	1	1
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	dro:myosuppressin receptor	0.0009	0.0129	0.0129
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0129	0.0129
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0009	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0129	0.0129

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.3	Displacement of [3H]Dofetilide from human ERG	ChEMBL.	18248991
Ki (functional)	> 5.7	Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay	ChEMBL.	18248991
Ki (functional)	> 6	Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay	ChEMBL.	18248991
Ki (functional)	= 7.4	Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay	ChEMBL.	18248991
Log IC50 (binding)	= 5.3	Displacement of [3H]Dofetilide from human ERG	ChEMBL.	18248991
Log Ki (functional)	< 5.7	Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay	ChEMBL.	18248991
Log Ki (functional)	< 6	Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay	ChEMBL.	18248991
Log Ki (functional)	= 7.4	Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay	ChEMBL.	18248991
Ratio (binding)	= 100	Selectivity for human dopamine D3 receptor over human ERG	ChEMBL.	18248991

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: CHEMBL272694
PubChem: 11663504

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 519022