TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.459 | Formula: C22H26FN3O3
H donors: 4 H acceptors: 3 LogP: 1.37 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCc2c(N1)ccc(c2)C(C(N1CCC(CC1)(O)c1ccc(cc1)F)C)O
InChi: 1S/C22H26FN3O3/c1-14(20(27)15-2-7-19-16(12-15)13-24-21(28)25-19)26-10-8-22(29,9-11-26)17-3-5-18(23)6-4-17/h2-7,12,14,20,27,29H,8-11,13H2,1H3,(H2,24,25,28)
InChiKey: LIIMZDKZANZWFU-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
Rattus norvegicus	Glutamate [NMDA] receptor subunit epsilon 2	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
Trichomonas vaginalis	voltage and ligand gated potassium channel, 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 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
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative	Get druggable targets OG5_129290	All targets in OG5_129290
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_129290	All targets in OG5_129290
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
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	glutamate NMDA receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290

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
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0115	0.0145	0.0145
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0032	0.001	0.001
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0295	0.0437	0.4052
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus multilocularis	neuropeptides capa receptor	0.0295	0.0437	0.0437
Brugia malayi	G-protein coupled receptor	0.0295	0.0437	0.4052
Trypanosoma cruzi	Heat shock protein 83, putative	0.0102	0.0122	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0295	0.0437	0.4052
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.2385	0.3839	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0102	0.0122	1
Toxoplasma gondii	heat shock protein HSP90	0.0102	0.0122	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0393	0.3646
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0032	0.001	0.001
Schistosoma mansoni	amine GPCR	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0689	0.1078	1
Schistosoma mansoni	adenoreceptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0089	0.0101	0.0101
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0295	0.0437	0.0437
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0045	0.3678
Brugia malayi	Melatonin receptor type 1A	0.0295	0.0437	0.4052
Schistosoma mansoni	hypothetical protein	0.0295	0.0437	0.0437
Schistosoma mansoni	glutamate receptor AMPA	0.0032	0.001	0.001
Echinococcus multilocularis	g-protein coupled receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Echinococcus granulosus	neuropeptide Y receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	glutamate receptor 2	0.0032	0.001	0.001
Brugia malayi	GnHR receptor homolog	0.0295	0.0437	0.4052
Schistosoma mansoni	glutamate receptor kainate	0.0032	0.001	0.001
Echinococcus granulosus	biogenic amine 5HT receptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0295	0.0437	0.4052
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Loa Loa (eye worm)	glutamate receptor 2	0.0032	0.001	0.0088
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Echinococcus granulosus	endoplasmin	0.0089	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Plasmodium vivax	heat shock protein 86, putative	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	hypothetical protein	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	heat shock protein 90	0.0089	0.0101	0.0101
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0421	0.0642	0.0642
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0124	0.0159	0.1472
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0295	0.0437	0.6592
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0039	0.002	0.0183
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0295	0.0437	0.0437
Mycobacterium ulcerans	heat shock protein 90	0.0089	0.0101	0.0024
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0295	0.0437	0.4052
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	somatostatin receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	neuropeptide receptor	0.617	1	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	serotonin receptor	0.0295	0.0437	0.0437
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.0101	0.277
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0029	0.0029
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0089	0.0101	0.8246
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0032	0.001	0.001
Echinococcus granulosus	cpg binding protein	0.003	0.0006	0.0006
Schistosoma mansoni	histamine h1 receptor	0.0295	0.0437	0.0437
Plasmodium falciparum	heat shock protein 90	0.0102	0.0122	1
Echinococcus granulosus	neuropeptide s receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	GPCR, family 2	0.0124	0.0159	0.0159
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0124	0.0159	0.0159
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0032	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0392	0.0595	0.552
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Echinococcus multilocularis	neuropeptide receptor A26	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0434	0.0662	0.6146
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0032	0.001	0.001
Loa Loa (eye worm)	neuropeptide F receptor	0.0295	0.0437	0.4052
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0025	0.0672
Trichomonas vaginalis	endoplasmin, putative	0.004	0.0021	0.0589
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0295	0.0437	0.0437
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	glutamate receptor NMDA	0.0273	0.0402	0.0402
Brugia malayi	Endoplasmin precursor	0.0102	0.0122	0.1136
Echinococcus multilocularis	fmrfamide receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	nmda type glutamate receptor	0.0115	0.0145	0.0145
Schistosoma mansoni	biogenic amine receptor	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0075	0.0079	0.647
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0037	0.0037
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0295	0.0437	0.0437
Trypanosoma brucei	Heat shock protein 83, putative	0.0102	0.0122	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0295	0.0437	0.0437
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0295	0.0437	0.0437
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Trypanosoma cruzi	heat shock protein 90, putative	0.0089	0.0101	0.8246
Brugia malayi	Serotonin receptor	0.0295	0.0437	0.4052
Loa Loa (eye worm)	G-protein coupled receptor	0.0295	0.0437	0.4052
Echinococcus multilocularis	neuropeptide Y receptor	0.0295	0.0437	0.0437
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Schistosoma mansoni	neuropeptide receptor	0.0295	0.0437	0.0437
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0083	0.0092	0.5
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Echinococcus granulosus	orexin receptor type 2	0.0295	0.0437	0.0437
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0295	0.0437	0.0437
Echinococcus multilocularis	orexin receptor type 2	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Schistosoma mansoni	hypothetical protein	0.0124	0.0159	0.0159
Plasmodium vivax	endoplasmin, putative	0.0102	0.0122	1
Echinococcus granulosus	neuropeptide receptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	G-protein coupled receptor	0.0295	0.0437	0.4052
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0295	0.0437	0.0437
Echinococcus multilocularis	nmda type glutamate receptor	0.0115	0.0145	0.0145
Echinococcus granulosus	somatostatin receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	fmrfamide receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	neuropeptide receptor	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Trypanosoma brucei	heat shock protein 90, putative	0.0102	0.0122	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	biogenic amine receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	dro:myosuppressin receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0037	0.0037
Schistosoma mansoni	glutamate receptor kainate	0.0032	0.001	0.001
Brugia malayi	heat shock protein 90	0.0102	0.0122	0.1136
Trypanosoma brucei	heat shock protein 90, putative	0.0102	0.0122	1
Echinococcus multilocularis	g protein coupled receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0295	0.0437	0.0437
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0295	0.0437	0.0437
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0295	0.0437	0.0437
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0295	0.0437	0.0437
Echinococcus multilocularis	neuropeptide s receptor	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Schistosoma mansoni	opsin-like receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Brugia malayi	G protein-coupled receptor F59B2.13	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0159	0.1472
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Echinococcus multilocularis	serotonin receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	neuropeptide f receptor 76f	0.0295	0.0437	0.0437
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0295	0.0437	0.0437
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0025	0.0672
Echinococcus granulosus	heat shock protein 90	0.0102	0.0122	0.0122
Brugia malayi	Dopamine receptor protein 1	0.0295	0.0437	0.4052
Echinococcus multilocularis	neuropeptide Y receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	g-protein coupled receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	cpg binding protein	0.003	0.0006	0.0006
Trypanosoma cruzi	heat shock protein 85, putative	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	heat shock protein	0.0102	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Schistosoma mansoni	neuropeptide receptor	0.0295	0.0437	0.0437
Brugia malayi	Glutamate receptor 1 precursor	0.0032	0.001	0.0088
Schistosoma mansoni	hypothetical protein	0.0295	0.0437	0.0437
Brugia malayi	putative neuropeptide receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	hypothetical protein	0.0124	0.0159	0.0159
Brugia malayi	putative neuropeptide receptor NPR1	0.0295	0.0437	0.4052
Echinococcus granulosus	7tm_1 domain containing protein	0.0295	0.0437	0.0437
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0029	0.0272
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0421	0.0642	0.0642
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.0365	0.3382
Brugia malayi	follicle stimulating hormone receptor	0.0295	0.0437	0.4052
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Echinococcus multilocularis	g protein coupled receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0295	0.0437	0.0437
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	serine-type protease inhibitor	0.3553	0.574	0.574
Echinococcus granulosus	dnaJ subfamily B	0.0408	0.062	0.062
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Echinococcus multilocularis	allatostatin A receptor	0.0434	0.0662	0.0662
Brugia malayi	larval opioid receptor	0.0295	0.0437	0.4052
Echinococcus granulosus	sex peptide receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0036	0.0036
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0295	0.0437	0.0437
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0003	0.0031
Schistosoma mansoni	hypothetical protein	0.0124	0.0159	0.0159
Loa Loa (eye worm)	endoplasmin	0.0102	0.0122	0.1136
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	glutamate receptor NMDA	0.0049	0.0037	0.0037
Echinococcus granulosus	neuropeptide FF receptor 2	0.0295	0.0437	0.0437
Echinococcus granulosus	tm gpcr rhodopsin	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Schistosoma mansoni	endoplasmin	0.0102	0.0122	0.0122
Schistosoma mansoni	amine GPCR	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Trichomonas vaginalis	heat shock protein, putative	0.004	0.0021	0.0589
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0239	0.6549
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0032	0.001	0.001
Schistosoma mansoni	glutamate receptor kainate	0.0032	0.001	0.001
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	heat shock protein 90	0.0102	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Trypanosoma cruzi	heat shock protein 85, putative	0.0089	0.0101	0.8246
Echinococcus multilocularis	neuropeptides capa receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	serine-type protease inhibitor	0.3553	0.574	0.574
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0089	0.0101	0.5
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Trypanosoma cruzi	heat shock protein 90, putative	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	melatonin receptor type 1A	0.0295	0.0437	0.4052
Loa Loa (eye worm)	glutamate receptor 1	0.0032	0.001	0.0088
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0295	0.0437	0.4052
Echinococcus multilocularis	cpg binding protein	0.003	0.0006	0.0006
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0295	0.0437	0.0437
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0295	0.0437	0.4052
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.0101	0.277
Brugia malayi	Dopamine receptor protein 2	0.0295	0.0437	0.4052
Echinococcus granulosus	g protein coupled receptor	0.0295	0.0437	0.0437
Brugia malayi	G protein-coupled receptor	0.0295	0.0437	0.4052
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	hypothetical protein	0.0295	0.0437	0.0437
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0032	0.001	0.001
Schistosoma mansoni	hypothetical protein	0.0124	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0295	0.0437	0.0437
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0056	0.0056
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0295	0.0437	0.0437
Trypanosoma cruzi	heat shock protein 85, putative	0.0102	0.0122	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0295	0.0437	0.4052
Onchocerca volvulus		0.0295	0.0437	0.6592
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Chlamydia trachomatis	glutamine binding protein	0.0083	0.0092	0.5
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0037	0.0037
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0295	0.0437	0.0437
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0295	0.0437	0.4052
Schistosoma mansoni	ATP-binding cassette transporter	0.0032	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	latrophilin 2 splice variant baaae	0.0268	0.0393	0.3646
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Treponema pallidum	heat shock protein 90	0.0089	0.0101	1
Echinococcus multilocularis	endoplasmin	0.0089	0.0101	0.0101
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0295	0.0437	0.4052
Echinococcus granulosus	tm gpcr rhodopsin	0.0295	0.0437	0.0437
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0434	0.0662	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Onchocerca volvulus		0.0295	0.0437	0.6592
Schistosoma mansoni	biogenic amine receptor	0.0295	0.0437	0.0437
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0295	0.0437	0.0437
Brugia malayi	G-protein coupled receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	opsin-like receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0273	0.0402	0.0402
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0037	0.0037
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0392	0.0595	0.552
Mycobacterium leprae	3-dehydroquinate dehydratase AroD (AroQ) (3-dehydroquinase) (Type II DHQase)	0.2385	0.3839	1
Onchocerca volvulus		0.0029	0.0003	0.0051
Brugia malayi	Glutamate receptor 2 precursor	0.0032	0.001	0.0088
Echinococcus multilocularis	dro:myosuppressin receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0049	0.0037	0.0037
Schistosoma mansoni	opsin-like receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0689	0.1078	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0029	0.0029
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Echinococcus multilocularis	g protein coupled receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	fmrfamide receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	neuropeptide F-like receptor	0.0295	0.0437	0.0437
Entamoeba histolytica	heat shock protein 90, putative	0.0102	0.0122	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	sulfakinin receptor protein	0.0295	0.0437	0.4052
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	hypothetical protein	0.0268	0.0393	0.0393
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Echinococcus granulosus	g protein coupled receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0036	0.0036
Loa Loa (eye worm)	neuropeptide F receptor	0.0295	0.0437	0.4052
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0124	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.0101	0.277
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Echinococcus granulosus	biogenic amine 5HT receptor	0.0295	0.0437	0.0437
Brugia malayi	RE15519p	0.0295	0.0437	0.4052
Echinococcus granulosus	GPCR family 2	0.0124	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0295	0.0437	0.0437
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0295	0.0437	0.0437
Schistosoma mansoni	endoplasmin	0.0102	0.0122	0.0122
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus granulosus	g protein coupled receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0037	0.0037
Onchocerca volvulus		0.0295	0.0437	0.6592
Plasmodium falciparum	endoplasmin, putative	0.004	0.0021	0.1754
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0089	0.0101	0.0024
Brugia malayi	Serotonin receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	heat shock protein	0.0102	0.0122	0.0122
Echinococcus multilocularis	G protein coupled receptor 139	0.617	1	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Echinococcus granulosus	tm gpcr rhodopsin	0.0295	0.0437	0.0437
Brugia malayi	Dopamine receptor	0.0295	0.0437	0.4052
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Schistosoma mansoni	hypothetical protein	0.0408	0.062	0.062
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	G protein coupled receptor 139	0.0295	0.0437	0.0437
Leishmania major	heat shock protein 83-1	0.0102	0.0122	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0224	0.6154
Brugia malayi	AKH receptor	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	neuropeptide F receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	myosin xvIII	0.0295	0.0437	0.0437
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Echinococcus granulosus	heat shock protein	0.0102	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	hypothetical protein	0.0295	0.0437	0.0437
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0003	0.0031
Echinococcus granulosus	neuropeptides capa receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0295	0.0437	0.0437
Echinococcus multilocularis	dnaJ subfamily B	0.0408	0.062	0.062
Echinococcus multilocularis	glutamate receptor 2	0.0049	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.0032	0.001	0.001
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0124	0.0159	0.1472
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0295	0.0437	0.0437
Brugia malayi	ORL1-like opioid receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	neuropeptide F-like receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	heat shock protein	0.0102	0.0122	0.0122
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0295	0.0437	0.4052
Echinococcus granulosus	neuropeptide Y receptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0239	0.6549
Schistosoma mansoni	cpg binding protein	0.0029	0.0003	0.0003
Schistosoma mansoni	cpg binding protein	0.003	0.0006	0.0006
Onchocerca volvulus		0.0295	0.0437	0.6592
Toxoplasma gondii	heat shock protein 90, putative	0.0102	0.0122	1
Echinococcus granulosus	glutamate receptor 2	0.0049	0.0037	0.0037
Onchocerca volvulus		0.0434	0.0662	1
Trypanosoma brucei	heat shock protein, putative	0.0102	0.0122	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	neuropeptide receptor	0.0295	0.0437	0.0437
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.2385	0.3839	1
Schistosoma mansoni	amine GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	amine GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0295	0.0437	0.0437
Echinococcus multilocularis	sex peptide receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0049	0.0037	0.0037
Brugia malayi	neuropeptide F receptor	0.0295	0.0437	0.4052
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0295	0.0437	0.0437
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0295	0.0437	0.0437
Schistosoma mansoni	glutamate receptor AMPA	0.0032	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	allatostatin A receptor	0.0434	0.0662	0.0662
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0029	0.0272
Trypanosoma cruzi	heat shock protein 85, putative	0.0102	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Brugia malayi	hypothetical protein	0.0295	0.0437	0.4052
Schistosoma mansoni	neuropeptide receptor	0.617	1	1
Onchocerca volvulus		0.0295	0.0437	0.6592
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0295	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus multilocularis	heat shock protein 90	0.0089	0.0101	0.0101
Onchocerca volvulus		0.0295	0.0437	0.6592
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0295	0.0437	0.6592
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0037	0.0037
Onchocerca volvulus		0.0295	0.0437	0.6592
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0295	0.0437	0.4052
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.0224	0.3386
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0273	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	neuropeptide receptor A26	0.0295	0.0437	0.0437
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.0365	0.3382
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Echinococcus granulosus	serotonin receptor	0.0295	0.0437	0.0437
Entamoeba histolytica	heat shock protein 90, putative	0.0102	0.0122	1
Echinococcus granulosus	neuropeptides capa receptor	0.0295	0.0437	0.0437
Brugia malayi	Latrophilin receptor protein 2	0.0124	0.0159	0.1472
Schistosoma mansoni	amine GPCR	0.0295	0.0437	0.0437
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0295	0.0437	0.0437
Echinococcus multilocularis	NMDA receptor	0.0032	0.001	0.001
Echinococcus granulosus	7TM GPCR rhodopsin	0.0295	0.0437	0.0437
Loa Loa (eye worm)	TYRA-2 protein	0.0295	0.0437	0.4052
Echinococcus granulosus	rhodopsin orphan GPCR	0.0295	0.0437	0.0437
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0365	1
Loa Loa (eye worm)	heat shock protein 90	0.0102	0.0122	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0437	0.4052
Trichomonas vaginalis	heat shock protein, putative	0.0102	0.0122	0.336

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.1 nM	Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane	ChEMBL.	17766106
IC50 (binding)	= 9.1 nM	Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane	ChEMBL.	17766106
IC50 (binding)	= 7.4 uM	Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells	ChEMBL.	17766106
IC50 (binding)	= 7.4 uM	Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells	ChEMBL.	17766106
IC50 (ADMET)	> 30 uM	Displacement of [3H]bufuralol from CYP2D6	ChEMBL.	17766106
IC50 (ADMET)	> 30 uM	Displacement of [3H]bufuralol from CYP2D6	ChEMBL.	17766106
Ratio (ADMET)	= 1	Ratio of Half life of compound in human liver microsome HHM0168 to half life in human liver microsome HHM0168 in presence of CYP2D6	ChEMBL.	17766106
Ratio IC50 (binding)	= 813	Ratio of IC50 for rat NR2B to IC50 for hERG channel	ChEMBL.	17766106

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: CHEMBL246815

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 459676