TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 520.303 | Formula: C23H28Br2N4
H donors: 2 H acceptors: 0 LogP: 5.65 Rotable bonds: 0
Rule of 5 violations (Lipinski): 2
SMILES: C1CC[n+]2ccc(cc2)NCc2ccc(CNc3cc[n+](CC1)cc3)cc2.[Br-].[Br-]
InChi: 1S/C23H26N4.2BrH/c1-2-12-26-14-8-22(9-15-26)24-18-20-4-6-21(7-5-20)19-25-23-10-16-27(13-3-1)17-11-23;;/h4-11,14-17H,1-3,12-13,18-19H2;2*1H
InChiKey: QISIRRQMYBEMAM-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Trypanosoma cruzi	hexose transporter, putative	0.0022	0.0454	0.8107
Toxoplasma gondii	protein kinase, putative	0.02	0.6557	1
Echinococcus granulosus	neuropeptide Y receptor	0.017	0.5515	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Leishmania major	glucose transporter, lmgt2	0.0022	0.0454	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0022	0.0445	0.0404
Echinococcus granulosus	neuropeptide FF receptor 2	0.017	0.5515	1
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0293	0.0531
Brugia malayi	hypothetical protein	0.017	0.5515	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Plasmodium vivax	proline--tRNA ligase, putative	0.0025	0.055	0.051
Onchocerca volvulus		0.017	0.5515	1
Brugia malayi	Serotonin receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0016	0.0243	0.395
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.017	0.5515	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.017	0.5515	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0025	0.055	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0429	0.0778
Schistosoma mansoni	hypothetical protein	0.017	0.5515	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0016	0.0243	0.0366
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0454	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0429	0.0778
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0021	0.0429	0.9253
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Brugia malayi	RE15519p	0.017	0.5515	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0025	0.055	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Brugia malayi	neuropeptide F receptor	0.017	0.5515	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.017	0.5515	1
Trichomonas vaginalis	sugar transporter, putative	0.0022	0.0454	0.1973
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0022	0.0444	0.7919
Schistosoma mansoni	protein kinase	0.0022	0.0444	0.0734
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Echinococcus multilocularis	lamin dm0	0.0033	0.0818	0.1417
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus granulosus	neuropeptide s receptor	0.017	0.5515	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.017	0.5515	1
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0021	0.0429	0.0707
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.017	0.5515	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Plasmodium falciparum	hexose transporter	0.0071	0.2128	0.2094
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.017	0.5515	1
Brugia malayi	intermediate filament protein	0.0033	0.0818	0.1417
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0022	0.0445	0.0404
Echinococcus multilocularis	neuropeptide Y receptor	0.017	0.5515	1
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0016	0.0243	0.395
Echinococcus granulosus	neuropeptide receptor	0.017	0.5515	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0021	0.0429	0.0707
Echinococcus multilocularis	neuropeptide s receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.017	0.5515	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0022	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Leishmania major	glucose transporter, lmgt1	0.0022	0.0454	0.8107
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5515	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0022	0.0445	0.0617
Echinococcus multilocularis	General substrate transporter	0.0061	0.1787	0.3187
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.017	0.5515	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.017	0.5515	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.017	0.5515	1
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0818	0.1417
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0071	0.2128	0.381
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.017	0.5515	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0016	0.0243	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0022	0.0444	0.0805
Brugia malayi	Serotonin receptor	0.017	0.5515	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0022	0.0445	0.0617
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0022	0.0454	0.8107
Trichomonas vaginalis	glucose transporter, putative	0.0022	0.0454	0.1973
Echinococcus multilocularis	allatostatin A receptor	0.017	0.5515	1
Echinococcus multilocularis	neuropeptide Y receptor	0.017	0.5515	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0444	0.0805
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.017	0.5515	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0454	0.1973
Echinococcus granulosus	dro:myosuppressin receptor	0.017	0.5515	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0025	0.055	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	General substrate transporter	0.0061	0.1787	0.3187
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Echinococcus granulosus	allatostatin A receptor	0.017	0.5515	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.017	0.5515	1
Echinococcus granulosus	7tm_1 domain containing protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.024	0.0435
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0021	0.0429	0.0707
Brugia malayi	GnHR receptor homolog	0.017	0.5515	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Entamoeba histolytica	protein kinase, putative	0.0022	0.0444	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0818	0.1483
Loa Loa (eye worm)	sugar transporter	0.001	0.0042	0.0077
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.017	0.5515	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0016	0.0243	0.0366
Brugia malayi	Melatonin receptor type 1A	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Brugia malayi	larval opioid receptor	0.017	0.5515	1
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0301	1	1
Schistosoma mansoni	amine GPCR	0.017	0.5515	1
Toxoplasma gondii	lysine-tRNA ligase	0.0016	0.0243	0.0308
Loa Loa (eye worm)	neuropeptide F receptor	0.017	0.5515	1
Echinococcus granulosus	sex peptide receptor	0.017	0.5515	1
Trypanosoma cruzi	hexose transporter, putative	0.0022	0.0454	0.8107
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0021	0.0429	0.0707
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.017	0.5515	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0022	0.0445	0.0404
Schistosoma mansoni	glucose transport protein	0.0071	0.2128	0.381
Brugia malayi	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0243	0.044
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	neuropeptide receptor A26	0.017	0.5515	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.017	0.5515	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.017	0.5515	1
Schistosoma mansoni	lamin	0.0033	0.0818	0.1417
Echinococcus granulosus	serotonin receptor	0.017	0.5515	1
Giardia lamblia	Prolyl-tRNA synthetase	0.0021	0.0429	1
Echinococcus multilocularis	fmrfamide receptor	0.017	0.5515	1
Echinococcus granulosus	g protein coupled receptor	0.017	0.5515	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.017	0.5515	1
Echinococcus multilocularis	lamin	0.0033	0.0818	0.1417
Brugia malayi	G protein-coupled receptor	0.017	0.5515	1
Trichomonas vaginalis	CAMK family protein kinase	0.0022	0.0444	0.1927
Onchocerca volvulus		0.017	0.5515	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.017	0.5515	1
Trypanosoma cruzi	hexose transporter, putative	0.0022	0.0454	0.8107
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Brugia malayi	lysyl-tRNA synthetase	0.0016	0.0243	0.0366
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0022	0.0445	0.0404
Trichomonas vaginalis	sugar transporter, putative	0.0022	0.0454	0.1973
Leishmania major	lysyl-tRNA synthetase, putative	0.0016	0.0243	0.395
Echinococcus granulosus	intermediate filament protein	0.0033	0.0818	0.1417
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Brugia malayi	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.017	0.5515	1
Brugia malayi	hypothetical protein	0.017	0.5515	1
Brugia malayi	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	g-protein coupled receptor	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Echinococcus multilocularis	sex peptide receptor	0.017	0.5515	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.017	0.5515	1
Echinococcus granulosus	lamin dm0	0.0033	0.0818	0.1417
Giardia lamblia	Lysyl-tRNA synthetase	0.0016	0.0243	0.5182
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	somatostatin receptor	0.017	0.5515	1
Schistosoma mansoni	biogenic amine receptor	0.017	0.5515	1
Schistosoma mansoni	amine GPCR	0.017	0.5515	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	amine GPCR	0.017	0.5515	1
Onchocerca volvulus		0.0033	0.0818	0.1417
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0444	0.0734
Brugia malayi	Dopamine receptor protein 1	0.017	0.5515	1
Echinococcus multilocularis	orexin receptor type 2	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.001	0.0042	0.5
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	G-protein coupled receptor	0.017	0.5515	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Schistosoma mansoni	opsin-like receptor	0.017	0.5515	1
Brugia malayi	ORL1-like opioid receptor	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0818	0.1483
Echinococcus granulosus	orexin receptor type 2	0.017	0.5515	1
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5515	1
Schistosoma mansoni	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.022	0.0398
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5515	1
Echinococcus granulosus	neuropeptide receptor A26	0.017	0.5515	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.017	0.5515	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0016	0.0243	0.0201
Schistosoma mansoni	neuropeptide receptor	0.017	0.5515	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.024	0.0361
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5515	1
Echinococcus granulosus	neuropeptide receptor	0.017	0.5515	1
Echinococcus granulosus	calcium dependent protein kinase	0.002	0.0398	0.065
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.017	0.5515	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.001	0.0042	0.0077
Plasmodium falciparum	lysine--tRNA ligase	0.0016	0.0243	0.0201
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.017	0.5515	1
Echinococcus granulosus	g protein coupled receptor	0.017	0.5515	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.017	0.5515	1
Echinococcus granulosus	G protein coupled receptor 139	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Loa Loa (eye worm)	TYRA-2 protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0022	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.017	0.5515	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2128	1
Trichomonas vaginalis	glucose transporter, putative	0.0022	0.0454	0.1973
Loa Loa (eye worm)	sugar transporter	0.0071	0.2128	0.3858
Brugia malayi	putative neuropeptide receptor	0.017	0.5515	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0022	0.0445	0.0617
Echinococcus granulosus	peptide allatostatin:somatostatin	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.017	0.5515	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0016	0.0243	0.0366
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Plasmodium falciparum	protein kinase 7	0.02	0.6557	0.6542
Echinococcus granulosus	fmrfamide receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Echinococcus granulosus	g-protein coupled receptor	0.017	0.5515	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0022	0.0445	0.0404
Echinococcus granulosus	g protein coupled receptor	0.017	0.5515	1
Schistosoma mansoni	neuropeptide F-like receptor	0.017	0.5515	1
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Schistosoma mansoni	opsin-like receptor	0.017	0.5515	1
Echinococcus granulosus	neuropeptides capa receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Trypanosoma brucei	glucose transporter 1E	0.0022	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.017	0.5515	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0115	0.3622	0.5495
Leishmania major	glucose transporter, lmgt3	0.0022	0.0454	0.8107
Toxoplasma gondii	facilitative glucose transporter GT1	0.0071	0.2128	0.3201
Brugia malayi	Cam kinase protein 1	0.0022	0.0444	0.0734
Schistosoma mansoni	protein kinase	0.0022	0.0444	0.0734
Onchocerca volvulus		0.017	0.5515	1
Echinococcus granulosus	neuropeptide Y receptor	0.017	0.5515	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5515	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.017	0.5515	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0021	0.0429	0.1855
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0299	0.0543
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.017	0.5515	1
Trypanosoma cruzi	hexose transporter, putative	0.0012	0.0113	0.1383
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0022	0.0444	0.0805
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0016	0.0243	0.0961
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0022	0.0444	0.0734
Schistosoma mansoni	histamine h1 receptor	0.017	0.5515	1
Schistosoma mansoni	biogenic amine receptor	0.017	0.5515	1
Echinococcus multilocularis	musashi	0.0033	0.0818	0.1417
Brugia malayi	AKH receptor	0.017	0.5515	1
Trypanosoma cruzi	hexose transporter	0.0022	0.0454	0.8107
Loa Loa (eye worm)	G-protein coupled receptor	0.017	0.5515	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Echinococcus multilocularis	calcium dependent protein kinase	0.002	0.0398	0.065
Brugia malayi	sulfakinin receptor protein	0.017	0.5515	1
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0021	0.0429	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0022	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Brugia malayi	hypothetical protein	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Entamoeba histolytica	protein kinase, putative	0.0022	0.0444	1
Echinococcus multilocularis	somatostatin receptor	0.017	0.5515	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Onchocerca volvulus		0.0033	0.0818	0.1417
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0797	0.1446
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0115	0.3622	0.3595
Loa Loa (eye worm)	melatonin receptor type 1A	0.017	0.5515	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Leishmania major	protein kinase, putative	0.0022	0.0444	0.7919
Trichomonas vaginalis	sugar transporter, putative	0.0022	0.0454	0.1973
Echinococcus multilocularis	serotonin receptor	0.017	0.5515	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0818	0.1417
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0013	0.0161	1
Brugia malayi	neuropeptide F receptor	0.017	0.5515	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.017	0.5515	1
Schistosoma mansoni	hypothetical protein	0.017	0.5515	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.017	0.5515	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5515	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	hypothetical protein	0.0071	0.2128	0.381
Brugia malayi	hypothetical protein	0.017	0.5515	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0013	0.0161	1
Schistosoma mansoni	glucose transport protein	0.0071	0.2128	0.381
Brugia malayi	hypothetical protein	0.017	0.5515	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0025	0.055	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0818	0.1483
Brugia malayi	Dopamine receptor protein 2	0.017	0.5515	1
Schistosoma mansoni	amine GPCR	0.017	0.5515	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.017	0.5515	1
Schistosoma mansoni	neuropeptide F-like receptor	0.017	0.5515	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0022	0.0444	0.0734
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0022	0.0445	0.0404
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0022	0.0445	0.0404
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5515	1
Echinococcus multilocularis	fmrfamide receptor	0.017	0.5515	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	neuropeptide receptor	0.017	0.5515	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5515	1
Schistosoma mansoni	adenoreceptor	0.017	0.5515	1
Schistosoma mansoni	myosin xvIII	0.017	0.5515	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.017	0.5515	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	hypothetical protein	0.017	0.5515	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.017	0.5515	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5515	1
Brugia malayi	Sugar transporter family protein	0.0071	0.2128	0.381
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.024	0.0361
Trypanosoma brucei	glucose transporter, putative	0.0022	0.0454	0.8107
Schistosoma mansoni	biogenic amine receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5515	1
Brugia malayi	follicle stimulating hormone receptor	0.017	0.5515	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0071	0.2128	0.381
Brugia malayi	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Schistosoma mansoni	glucose transport protein	0.0071	0.2128	0.381
Echinococcus granulosus	lamin	0.0033	0.0818	0.1417
Onchocerca volvulus		0.017	0.5515	1
Trypanosoma brucei	glucose transporter 2A	0.0022	0.0454	0.8107
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0021	0.0429	0.0707
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Echinococcus multilocularis	G protein coupled receptor 139	0.017	0.5515	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.001	0.0042	0.0077
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Plasmodium vivax	hexose transporter	0.0071	0.2128	0.2094
Brugia malayi	putative neuropeptide receptor NPR1	0.017	0.5515	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.017	0.5515	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0016	0.0243	0.3046
Schistosoma mansoni	amine GPCR	0.017	0.5515	1
Echinococcus granulosus	neuropeptides capa receptor	0.017	0.5515	1
Schistosoma mansoni	hypothetical protein	0.017	0.5515	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0115	0.3622	0.3595
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0014	0.0176	0.0641
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5515	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0022	0.0454	0.8107
Schistosoma mansoni	protein kinase	0.0022	0.0444	0.0734
Echinococcus multilocularis	neuropeptides capa receptor	0.017	0.5515	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0025	0.055	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0016	0.0243	0.5
Schistosoma mansoni	opsin-like receptor	0.017	0.5515	1
Echinococcus multilocularis	serotonin receptor	0.017	0.5515	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Brugia malayi	hypothetical protein	0.017	0.5515	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.017	0.5515	1
Brugia malayi	G-protein coupled receptor	0.017	0.5515	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5515	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5515	1
Echinococcus multilocularis	neuropeptides capa receptor	0.017	0.5515	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0025	0.055	1
Schistosoma mansoni	lamin	0.0033	0.0818	0.1417
Echinococcus multilocularis	neuropeptide receptor	0.017	0.5515	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0299	0.0469
Brugia malayi	Dopamine receptor	0.017	0.5515	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.017	0.5515	1
Echinococcus multilocularis	lysyl tRNA synthetase	0.0016	0.0243	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0015	0.022	0.0398
Loa Loa (eye worm)	hypothetical protein	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.017	0.5515	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.017	0.5515	1
Brugia malayi	G-protein coupled receptor	0.017	0.5515	1
Loa Loa (eye worm)	neuropeptide F receptor	0.017	0.5515	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0022	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Plasmodium falciparum	proline--tRNA ligase	0.0025	0.055	0.051
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0021	0.0429	0.0707
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.017	0.5515	1
Onchocerca volvulus		0.017	0.5515	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0016	0.0243	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0022	0.0444	0.0734
Loa Loa (eye worm)	hypothetical protein	0.001	0.0042	0.0077

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.17 uM	Anti-leishmanial activity against Leishmania major MHOM/JL/80/ Friedlin promastigotes incubated for 72 hrs at 28 degC	ChEMBL.	25462252
EC50 (functional)	= 26.41 uM	Anti-leishmanial activity against Leishmania donovani MHOM/IND/80/Dd8 promastigotes incubated for 72 hrs at 28 degC	ChEMBL.	25462252
EC50 (ADMET)	= 165.06 uM	Cytotoxicity against human THP1 cells after 48 hrs by MTT assay	ChEMBL.	25462252

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Leishmania major	ChEMBL23	25462252

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: CHEMBL3361137

Bibliographic References

No literature references available for this target.

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Detailed information for compound 953256