TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.393 | Formula: C22H19F3N2O3
H donors: 2 H acceptors: 3 LogP: 3.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H](c1cccc(n1)c1ccc2c(c1)CN(C)c1c(O2)ccc(c1)C(F)(F)F)O
InChi: 1S/C22H19F3N2O3/c1-27-11-14-9-13(16-3-2-4-17(26-16)19(29)12-28)5-7-20(14)30-21-8-6-15(10-18(21)27)22(23,24)25/h2-10,19,28-29H,11-12H2,1H3/t19-/m1/s1
InChiKey: BRWUSQGUQAKZGX-LJQANCHMSA-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	sodium channel, voltage-gated, type IX, alpha subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819

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	0.0084	0.0867	0.0867
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.0752	0.0465
Schistosoma mansoni	amine GPCR	0.0084	0.0867	0.0001
Echinococcus granulosus	somatostatin receptor	0.0084	0.0867	0.0584
Brugia malayi	GnHR receptor homolog	0.0084	0.0867	0.0867
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0084	0.0867	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Brugia malayi	neuropeptide F receptor	0.0084	0.0867	0.0867
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0084	0.0867	0.0584
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	g-protein coupled receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	neuropeptide receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	neuropeptide s receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Trypanosoma brucei	cytochrome P450, putative	0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0084	0.0867	0.0001
Brugia malayi	neuropeptide F receptor	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0084	0.0867	0.0867
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0084	0.0867	0.0001
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0084	0.0867	0.0867
Brugia malayi	Serotonin receptor	0.0084	0.0867	0.0867
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0084	0.0867	0.0584
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Echinococcus multilocularis	serotonin receptor	0.0084	0.0867	0.0584
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	larval opioid receptor	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	dro:myosuppressin receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	dro:myosuppressin receptor	0.0084	0.0867	0.0584
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0084	0.0867	0.0867
Brugia malayi	RE15519p	0.0084	0.0867	0.0867
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0084	0.0867	0.0001
Echinococcus multilocularis	g protein coupled receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	biogenic amine 5HT receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0084	0.0867	0.0867
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	neuropeptide F-like receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	neuropeptide F-like receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	hypothetical protein	0.0084	0.0867	0.0001
Echinococcus granulosus	neuropeptide s receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	amine GPCR	0.0084	0.0867	0.0001
Echinococcus multilocularis	serotonin receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	neuropeptide receptor	0.0084	0.0867	0.0001
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0621	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	neuropeptides capa receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	neuropeptide Y receptor	0.0084	0.0867	0.0584
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0084	0.0867	0.0867
Echinococcus granulosus	fmrfamide receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	neuropeptide Y receptor	0.0084	0.0867	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	biogenic amine receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	sex peptide receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	neuropeptides capa receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0084	0.0867	0.0867
Schistosoma mansoni	hypothetical protein	0.0084	0.0867	0.0001
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0621	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0	0.5
Brugia malayi	Dopamine receptor protein 1	0.0084	0.0867	0.0867
Echinococcus multilocularis	sex peptide receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	G protein-coupled receptor F59B2.13	0.0084	0.0867	0.0867
Echinococcus multilocularis	ceramide glucosyltransferase	0.0627	1	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	neuropeptide receptor	0.0084	0.0867	0.0001
Echinococcus multilocularis	orexin receptor type 2	0.0084	0.0867	0.0584
Echinococcus granulosus	g protein coupled receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	g protein coupled receptor	0.0084	0.0867	0.0584
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0	0.5
Echinococcus granulosus	ceramide glucosyltransferase	0.0627	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0084	0.0867	0.0867
Echinococcus granulosus	g-protein coupled receptor	0.0084	0.0867	0.0584
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0627	1	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0084	0.0867	0.0584
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0084	0.0867	0.0584
Schistosoma mansoni	amine GPCR	0.0084	0.0867	0.0001
Schistosoma mansoni	adenoreceptor	0.0084	0.0867	0.0001
Brugia malayi	G protein-coupled receptor	0.0084	0.0867	0.0867
Echinococcus multilocularis	neuropeptides capa receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	biogenic amine receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Brugia malayi	putative neuropeptide receptor NPR1	0.0084	0.0867	0.0867
Brugia malayi	putative neuropeptide receptor	0.0084	0.0867	0.0867
Brugia malayi	AKH receptor	0.0084	0.0867	0.0867
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0084	0.0867	0.0584
Echinococcus granulosus	neuropeptide FF receptor 2	0.0084	0.0867	0.0584
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	growth hormone secretagogue receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0084	0.0867	0.0001
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	G-protein coupled receptor	0.0084	0.0867	0.0867
Echinococcus granulosus	neuropeptide receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	neuropeptide F receptor	0.0084	0.0867	0.0867
Echinococcus granulosus	7TM GPCR rhodopsin	0.0084	0.0867	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	neuropeptide receptor A26	0.0084	0.0867	0.0584
Echinococcus multilocularis	neuropeptide receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	neuropeptide Y receptor	0.0084	0.0867	0.0584
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0084	0.0867	0.0584
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	amine GPCR	0.0084	0.0867	0.0001
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0084	0.0867	0.0584
Echinococcus granulosus	tm gpcr rhodopsin	0.0084	0.0867	0.0584
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0627	1	1
Brugia malayi	G-protein coupled receptor	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	fmrfamide receptor	0.0084	0.0867	0.0584
Brugia malayi	follicle stimulating hormone receptor	0.0084	0.0867	0.0867
Echinococcus granulosus	neuropeptide receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	G-protein coupled receptor	0.0084	0.0867	0.0867
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0084	0.0867	0.0867
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus multilocularis	fmrfamide receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	myosin xvIII	0.0084	0.0867	0.0001
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0084	0.0867	0.0584
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	neuropeptide f receptor 76f	0.0084	0.0867	0.0001
Brugia malayi	Dopamine receptor protein 2	0.0084	0.0867	0.0867
Schistosoma mansoni	ceramide glucosyltransferase	0.0627	1	1
Schistosoma mansoni	amine GPCR	0.0084	0.0867	0.0001
Echinococcus granulosus	orexin receptor type 2	0.0084	0.0867	0.0584
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0084	0.0867	0.0584
Brugia malayi	Melatonin receptor type 1A	0.0084	0.0867	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0084	0.0867	0.0584
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	opsin-like receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	neuropeptide Y receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0084	0.0867	0.0867
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0084	0.0867	0.0001
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	neuropeptide receptor A26	0.0084	0.0867	0.0584
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.0752	0.0465
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Schistosoma mansoni	histamine h1 receptor	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	TYRA-2 protein	0.0084	0.0867	0.0867
Brugia malayi	sulfakinin receptor protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	g protein coupled receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0084	0.0867	0.0584
Echinococcus granulosus	G protein coupled receptor 139	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	tm gpcr rhodopsin	0.0084	0.0867	0.0584
Echinococcus granulosus	7tm_1 domain containing protein	0.0084	0.0867	0.0584
Schistosoma mansoni	biogenic amine receptor	0.0084	0.0867	0.0001
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0587	0.0587
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0084	0.0867	0.0584
Echinococcus granulosus	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Schistosoma mansoni	ceramide glucosyltransferase	0.0627	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0084	0.0867	0.0584
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	tm gpcr rhodopsin	0.0084	0.0867	0.0584
Echinococcus multilocularis	allatostatin A receptor	0.0084	0.0867	0.0584
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0084	0.0867	0.0867
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus multilocularis	G protein coupled receptor 139	0.0084	0.0867	0.0584
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	hypothetical protein	0.0084	0.0867	0.0867
Loa Loa (eye worm)	melatonin receptor type 1A	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Giardia lamblia	Ceramide glucosyltransferase	0.0284	0.4236	0.5
Brugia malayi	Dopamine receptor	0.0084	0.0867	0.0867
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0084	0.0867	0.0001
Echinococcus multilocularis	somatostatin receptor	0.0084	0.0867	0.0584
Brugia malayi	Serotonin receptor	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	ORL1-like opioid receptor	0.0084	0.0867	0.0867
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0084	0.0867	0.0584
Schistosoma mansoni	hypothetical protein	0.0084	0.0867	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Brugia malayi	G-protein coupled receptor	0.0084	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.005	0.0301	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0084	0.0867	0.0584
Schistosoma mansoni	neuropeptide receptor	0.0084	0.0867	0.0001
Schistosoma mansoni	neuropeptide receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	biogenic amine 5HT receptor	0.0084	0.0867	0.0584
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0084	0.0867	0.0584
Echinococcus granulosus	allatostatin A receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.0752	0.0752
Echinococcus multilocularis	g protein coupled receptor	0.0084	0.0867	0.0584
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.0752	0.0752
Echinococcus granulosus	g protein coupled receptor	0.0084	0.0867	0.0584
Echinococcus granulosus	hypothetical protein	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Schistosoma mansoni	opsin-like receptor	0.0084	0.0867	0.0001
Echinococcus granulosus	neuropeptides capa receptor	0.0084	0.0867	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0867	0.0867
Echinococcus granulosus	serotonin receptor	0.0084	0.0867	0.0584

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.37 uM	Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay	ChEMBL.	25466191
Ki (binding)	= 0.44 uM	Inhibition of Nav1.7 (unknown origin) by electrophysiological assay	ChEMBL.	25466191
Stabilty (ADMET)	= 98 %	Metabolic stability in human liver microsomes assessed as compound remaining at 1 uM after 30 mins	ChEMBL.	25466191

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: CHEMBL3581056

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1934842