TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.566 | Formula: C28H32N2O
H donors: 1 H acceptors: 1 LogP: 5.47 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCCN(C1)CCCc1ccccc1)NCc1ccccc1c1ccccc1
InChi: 1S/C28H32N2O/c31-28(29-21-25-16-7-8-18-27(25)24-14-5-2-6-15-24)26-17-10-20-30(22-26)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,14-16,18,26H,9-10,13,17,19-22H2,(H,29,31)
InChiKey: WOUXZHGLRQTXSF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, nicotinic, alpha 3 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, alpha 4 (neuronal)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	Get druggable targets OG5_128160	All targets in OG5_128160
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Onchocerca volvulus	Putative nachr subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128160	All targets in OG5_128160

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cation transporter family protein	cholinergic receptor, nicotinic, alpha 3 (neuronal)	505 aa	486 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0096	0.2439	0.2439
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0016	0.015	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0208	0.5635	0.5635
Brugia malayi	N-terminal motif family protein	0.0186	0.499	0.499
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.1721	0.3169
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.003	0.0546	0.0546
Entamoeba histolytica	hypothetical protein	0.0016	0.015	0.5
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.003	0.0546	0.0546
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0201	0.5432	0.5432
Onchocerca volvulus		0.003	0.0546	0.1006
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0389	0.0715
Schistosoma mansoni	nAChR subunit	0.0014	0.0083	0.0147
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.003	0.0546	0.097
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Schistosoma mansoni	hypothetical protein	0.0096	0.2439	0.4329
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0014	0.0083	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0074	0.1788	0.3292
Brugia malayi	RNA recognition motif domain containing protein	0.0123	0.3189	0.3189
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.0546	0.1006
Schistosoma mansoni	hypothetical protein	0.0208	0.5635	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0047	0.1042	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Echinococcus multilocularis	conserved hypothetical protein	0.0055	0.1246	0.2293
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Brugia malayi	MH1 domain containing protein	0.0014	0.0075	0.0075
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.0546	0.1006
Onchocerca volvulus		0.003	0.0546	0.1006
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.0083	0.0147
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0304	0.8388	0.8388
Onchocerca volvulus		0.0014	0.0083	0.0153
Echinococcus multilocularis	isocitrate dehydrogenase	0.0047	0.1042	0.1918
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0096	0.2439	0.4491
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0083	0.0083
Echinococcus granulosus	Glycosyl transferase family 8	0.0074	0.1788	0.3292
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3189	0.566
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.0546	0.1006
Echinococcus multilocularis	smad	0.0025	0.0389	0.0715
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.1042	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0083	0.0083
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.003	0.0546	0.1006
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0047	0.1042	0.1042
Brugia malayi	Cation transporter family protein	0.003	0.0546	0.0546
Brugia malayi	MH2 domain containing protein	0.0025	0.0389	0.0389
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.0083	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.003	0.0546	0.1006
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.0546	0.1006
Echinococcus granulosus	nAChR subunit	0.003	0.0546	0.1006
Onchocerca volvulus		0.0014	0.0083	0.0153
Brugia malayi	RNA binding protein	0.0123	0.3189	0.3189
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.003	0.0546	0.1006
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0096	0.2439	0.4491
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.003	0.0546	0.097
Onchocerca volvulus		0.0016	0.015	0.0275
Schistosoma mansoni	glycosyltransferase-related	0.0074	0.1788	0.3173
Echinococcus granulosus	nAChR subunit	0.0016	0.015	0.0275
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0047	0.1042	0.1918
Loa Loa (eye worm)	hypothetical protein	0.0304	0.8388	0.8388
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0014	0.0083	0.0153
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0389	0.0715
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0201	0.5432	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0201	0.5432	1
Loa Loa (eye worm)	TAR-binding protein	0.0123	0.3189	0.3189
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0047	0.1042	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0123	0.3189	0.3189
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0014	0.0083	0.0153
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0546	0.0546
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3189	0.566
Onchocerca volvulus		0.003	0.0546	0.1006
Brugia malayi	Isocitrate dehydrogenase	0.0047	0.1042	0.1042
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.1042	0.1918
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.1042	0.1918
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0014	0.0083	0.0083
Echinococcus multilocularis	tar DNA binding protein	0.0123	0.3189	0.5871
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Schistosoma mansoni	hypothetical protein	0.0096	0.2439	0.4329
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0389	0.0715
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0304	0.8388	0.8388
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0389	0.069
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0047	0.1042	0.5
Brugia malayi	MH1 domain containing protein	0.0025	0.0389	0.0389
Loa Loa (eye worm)	LGC-31 protein	0.003	0.0546	0.0546
Brugia malayi	MH2 domain containing protein	0.0025	0.0389	0.0389
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0546	0.097
Brugia malayi	MH1 domain containing protein	0.0025	0.0389	0.0389
Echinococcus granulosus	smad	0.0025	0.0389	0.0715
Echinococcus multilocularis	Smad4	0.0025	0.0389	0.0715
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3189	0.566
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Schistosoma mansoni	smad	0.0025	0.0389	0.069
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3189	0.566
Brugia malayi	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0389	0.069
Onchocerca volvulus		0.0014	0.0083	0.0153
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.1042	0.1918
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.1042	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.003	0.0546	0.0546
Schistosoma mansoni	Smad4	0.0025	0.0389	0.069
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Loa Loa (eye worm)	nuclear factor I	0.0014	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Loa Loa (eye worm)	hypothetical protein	0.0186	0.499	0.499
Brugia malayi	TAR-binding protein	0.0123	0.3189	0.3189
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.003	0.0546	0.0546
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0201	0.5432	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0361	1	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0016	0.015	0.0265
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0546	0.097
Loa Loa (eye worm)	Smad1	0.0025	0.0389	0.0389
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.0546	0.1006
Onchocerca volvulus		0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Loa Loa (eye worm)	MH2 domain-containing protein	0.0361	1	1
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0071	0.1721	0.3169
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0014	0.0083	0.0153
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.1042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0201	0.5432	0.5432
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0016	0.015	0.015
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0389	0.0389
Brugia malayi	isocitrate dehydrogenase	0.0047	0.1042	0.1042
Echinococcus multilocularis	GPCR, family 2	0.0096	0.2439	0.4491
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0016	0.015	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Brugia malayi	hypothetical protein	0.0014	0.0083	0.0083
Brugia malayi	Cation transporter family protein	0.003	0.0546	0.0546
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3189	0.566
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0047	0.1042	0.1849
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0096	0.2439	0.4491
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.003	0.0546	0.0546
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0201	0.5432	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0186	0.499	0.9185
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0096	0.2439	0.2439
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0201	0.5432	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0014	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.0014	0.0083	0.0147
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0047	0.1042	0.5
Schistosoma mansoni	hypothetical protein	0.0096	0.2439	0.4329
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0014	0.0083	0.0083
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0047	0.1042	0.5
Loa Loa (eye worm)	ACC-1 protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0228	0.0228
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.003	0.0546	0.097
Echinococcus granulosus	Smad4	0.0025	0.0389	0.0715
Loa Loa (eye worm)	GABA receptor subunit	0.0016	0.015	0.015
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0546	0.0546
Brugia malayi	latrophilin 2 splice variant baaae	0.0208	0.5635	0.5635
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.003	0.0546	0.1006
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.003	0.0546	0.0546
Brugia malayi	hypothetical protein	0.0014	0.0083	0.0083
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.003	0.0546	0.0546
Brugia malayi	MH1 domain containing protein	0.0014	0.0075	0.0075
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.003	0.0546	0.0546
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0546	0.0546
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Echinococcus multilocularis	nAChR subunit	0.003	0.0546	0.1006
Brugia malayi	Smad1	0.0025	0.0389	0.0389
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.1721	0.3169
Brugia malayi	Glycosyl transferase family 8 protein	0.0074	0.1788	0.1788
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.1042	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0074	0.1788	0.1788
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0014	0.0083	0.0153
Brugia malayi	hypothetical protein	0.0014	0.0083	0.0083
Onchocerca volvulus		0.003	0.0546	0.1006
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0075	0.0075
Echinococcus granulosus	tar DNA binding protein	0.0123	0.3189	0.5871
Loa Loa (eye worm)	hypothetical protein	0.0016	0.015	0.015
Loa Loa (eye worm)	RNA binding protein	0.0123	0.3189	0.3189
Brugia malayi	AT16019p	0.0019	0.0228	0.0228
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.015	0.015
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0389	0.069
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0014	0.0083	0.0153
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0546	0.097
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0055	0.1246	0.2293
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0014	0.0083	0.0083
Onchocerca volvulus		0.0016	0.015	0.0275
Onchocerca volvulus	Putative nachr subunit	0.0201	0.5432	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2439	0.2439
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0546	0.1006
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0016	0.015	0.015
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0201	0.5432	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0304	0.8388	0.8388
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.1042	0.5
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0014	0.0083	0.0083
Brugia malayi	excitatory GABA receptor EXP-1A	0.003	0.0546	0.0546
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0071	0.1721	0.3169
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0389	0.0715
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0201	0.5432	0.5432
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0096	0.2439	0.4491
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0014	0.0083	0.0083
Onchocerca volvulus		0.003	0.0546	0.1006
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0047	0.1042	0.1918
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0055	0.1246	0.2293
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.015	0.015
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.003	0.0546	0.097
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.003	0.0546	0.0546
Brugia malayi	Cation transporter family protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Echinococcus multilocularis	nAChR subunit	0.0016	0.015	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0389	0.069
Echinococcus granulosus	GPCR family 2	0.0096	0.2439	0.4491
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.0546	0.1006
Brugia malayi	hypothetical protein	0.0014	0.0083	0.0083
Schistosoma mansoni	hypothetical protein	0.0096	0.2439	0.4329
Schistosoma mansoni	acetylcholine receptor-related	0.0014	0.0083	0.0147
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	ACC-1 protein	0.003	0.0546	0.0546
Loa Loa (eye worm)	acetylcholine receptor protein	0.0014	0.0083	0.0083
Brugia malayi	Latrophilin receptor protein 2	0.0096	0.2439	0.2439

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 4.78	Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis	ChEMBL.	22285942
IC50 (functional)	= 4.84	Antagonist activity at human nAChR alpha3/beta4 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis	ChEMBL.	22285942

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: CHEMBL1950516

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1569012