TDR Targets

Basic information

Technical information

TDR Targets ID: 449542
Name: (1S,5S)-3-(5-chloropyridin-3-yl)-3,6-diazabic yclo[3.2.0]heptane
MW: 209.675 | Formula: C10H12ClN3
H donors: 1 H acceptors: 1 LogP: 1.04 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cncc(c1)N1C[C@@H]2[C@H](C1)CN2
InChi: 1S/C10H12ClN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m0/s1
InChiKey: OYRMPONTNDKOTG-OIBJUYFYSA-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

(1S,5S)-3-(5-chloro-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	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
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha 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 subunit alpha 8	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)	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
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	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

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
Onchocerca volvulus	Bile acid receptor homolog	0.0032	0.0901	0.1117
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1391	0.2156
Schistosoma mansoni	nuclear receptor	0.0015	0.0258	0.0399
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0046	0.146	0.2263
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1391	0.2156
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Schistosoma mansoni	zinc finger protein	0.0015	0.0258	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0015	0.0261	0.0178
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0015	0.0261	0.0178
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0101	0.3538	0.3483
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0901	0.1396
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2049	0.3175
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.3016	1
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Brugia malayi	tailless protein	0.0015	0.0258	0.0175
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.1593	1
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Brugia malayi	hypothetical protein	0.0017	0.0326	0.0245
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.0901	0.1396
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.0901	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0901	0.0824
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0202	0.0313
Brugia malayi	hypothetical protein	0.0017	0.0326	0.0245
Brugia malayi	RNA binding protein	0.0062	0.2049	0.1981
Brugia malayi	nuclear hormone receptor	0.0032	0.0901	0.0824
Brugia malayi	MH2 domain containing protein	0.0116	0.4141	0.4092
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.0901	0.1396
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0014	0.0202	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Entamoeba histolytica	protein kinase, putative	0.0087	0.3016	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0901	0.1396
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.0901	0.1396
Echinococcus granulosus	nAChR subunit	0.0015	0.0261	0.0404
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0015	0.0261	0.0178
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0202	0.0313
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.0901	0.1396
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.0901	0.1396
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0326	0.0506
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1391	0.2156
Loa Loa (eye worm)	hypothetical protein	0.005	0.1607	0.1536
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0101	0.3538	0.5483
Schistosoma mansoni	coup transcription factor	0.0032	0.0901	0.1396
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0101	0.3538	0.5483
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0165	0.5996	0.9292
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0014	0.0202	0.0342
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0015	0.0258	0.0089
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0037	0.1099	0.1024
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0014	0.0202	0.0313
Onchocerca volvulus	Glucosylceramidase homolog	0.0177	0.6452	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Onchocerca volvulus		0.0015	0.0261	0.0093
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0014	0.0202	0.0313
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.1593	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0169	0.6178	0.9574
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.0901	0.1396
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.0901	0.0824
Schistosoma mansoni	NAD dehydrogenase	0.0014	0.0202	0.0313
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0326	0.0506
Echinococcus multilocularis	geminin	0.0177	0.6453	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0162	0.5908	1
Brugia malayi	TAR-binding protein	0.0062	0.2049	0.1981
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0169	0.6178	0.9574
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0258	0.0399
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0014	0.0202	0.0313
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.0901	0.0824
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0034	0.0992	0.1538
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0258	0.0399
Brugia malayi	hypothetical protein	0.0015	0.0258	0.0175
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.0901	0.1396
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0014	0.0202	0.0313
Echinococcus multilocularis	dual specificity	0.0087	0.3016	0.4674
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0015	0.0258	0.0089
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2049	0.1981
Brugia malayi	nuclear receptor RXR	0.0015	0.0258	0.0175
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0087	0.3016	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0326	0.0245
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0014	0.0202	0.0342
Echinococcus granulosus	dual specificity	0.0087	0.3016	0.4674
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Brugia malayi	Cation transporter family protein	0.0015	0.0261	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0901	0.1396
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.4141	0.4092
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.0261	0.0404
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0015	0.0261	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	nuclear receptor	0.0015	0.0258	0.0399
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.0901	0.0824
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0326	0.0506
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0015	0.0258	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0	0.5
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0202	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Brugia malayi	nuclear receptor NHR-67	0.0015	0.0258	0.0175
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0015	0.0258	0.0399
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.0901	0.0824
Brugia malayi	excitatory GABA receptor EXP-1A	0.0015	0.0261	0.0178
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.0261	0.0404
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0202	0.0119
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0015	0.0261	0.0178
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.0901	0.1396
Brugia malayi	Cation transporter family protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.6817	0.6817
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0101	0.3538	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0326	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0015	0.0261	0.0404
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.0901	0.1396
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.0901	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.0901	0.0824
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0901	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0086	0.2999	0.2939
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.0901	0.1396
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.6817	0.6817
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0326	0.0245
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0015	0.0261	0.0178
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.0901	0.0824
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	d-amino acid oxidase	0.0162	0.5908	0.9156
Onchocerca volvulus	Protein ultraspiracle homolog	0.0032	0.0901	0.1117
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0326	0.0506
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.0901	0.1396
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0258	0.0399
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0101	0.3538	0.3483
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.0901	0.1396
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0101	0.3538	0.5483
Onchocerca volvulus		0.0015	0.0258	0.0089
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0233	0.862	0.8608
Brugia malayi	ecdysone receptor	0.0015	0.0258	0.0175
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0202	0.0119
Brugia malayi	steroid hormone receptor	0.0032	0.0901	0.0824
Loa Loa (eye worm)	glutamate receptor	0.0016	0.0298	0.0216
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0014	0.0202	0.5
Brugia malayi	Protein kinase domain containing protein	0.0087	0.3016	0.2957
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0087	0.3016	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2049	0.3175
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0202	0.0375
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0015	0.0261	0.0178
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.0261	0.0178
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.0261	0.0404
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0015	0.0258	0.0399
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Onchocerca volvulus		0.0015	0.0261	0.0093
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.4141	0.4092
Echinococcus granulosus	nuclear receptor nhr 48	0.0015	0.0258	0.0399
Onchocerca volvulus		0.0032	0.0901	0.1117
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0014	0.0202	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0162	0.5908	0.5873
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0326	0.0245
Schistosoma mansoni	nuclear receptor nhr-48	0.0015	0.0258	0.0399
Brugia malayi	nuclear receptor NHR-88	0.0032	0.0901	0.0824
Entamoeba histolytica	acetyltransferase, GNAT family	0.0046	0.1434	0.4378
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0015	0.0258	0.0175
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2049	0.3175
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.0901	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	glutamate receptor	0.0041	0.1246	0.1172
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0901	0.0824
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.0261	0.0404
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1391	0.1319
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.3016	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0032	0.0901	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0101	0.3538	0.3483
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0901	0.0824
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.0901	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0258	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.0901	0.1396
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0014	0.0202	0.0119
Loa Loa (eye worm)	LGC-31 protein	0.0015	0.0261	0.0178
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0261	0.0404
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.0901	0.1396
Brugia malayi	acetyltransferase, GNAT family protein	0.0169	0.6178	0.6145
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0015	0.0258	0.0175
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.1593	0.1593
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.0901	0.1396
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.3016	0.4674
Echinococcus multilocularis	nuclear receptor nhr 48	0.0015	0.0258	0.0399
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0015	0.0261	0.0404
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.0901	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Brugia malayi	ecdysteroid receptor	0.0032	0.0901	0.0824
Echinococcus granulosus	metabotropic glutamate receptor 5	0.005	0.1607	0.249
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0015	0.0258	0.0399
Brugia malayi	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0087	0.3016	0.2957
Onchocerca volvulus		0.0015	0.0261	0.0093
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2049	0.3175
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0901	0.0824
Schistosoma mansoni	metabotropic glutamate receptor	0.002	0.0445	0.069
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0258	0.0175
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0149	0.5389	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.0901	0.0824
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2049	0.3175
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.005	0.1607	0.249
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0015	0.0261	0.0404
Loa Loa (eye worm)	DR-78	0.0015	0.0258	0.0175
Brugia malayi	nuclear receptor NHR-88	0.0015	0.0258	0.0175
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0162	0.5908	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0269	1	1
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.0261	0.0178
Onchocerca volvulus		0.0015	0.0258	0.0089
Schistosoma mansoni	hypothetical protein	0.0177	0.6453	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0261	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.0901	0.1396
Brugia malayi	Cation transporter family protein	0.0015	0.0261	0.0178
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0015	0.0261	0.0178
Loa Loa (eye worm)	nuclear hormone receptor	0.0015	0.0258	0.0175
Brugia malayi	nuclear hormone receptor	0.0015	0.0258	0.0175
Schistosoma mansoni	hypothetical protein	0.0177	0.6453	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.0901	0.0824
Echinococcus multilocularis	nAChR subunit	0.0015	0.0261	0.0404
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0014	0.0202	0.0342
Onchocerca volvulus	Putative nachr subunit	0.0101	0.3538	0.5337
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0014	0.0202	0.0119
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.0901	0.0824
Brugia malayi	RE18450p	0.0014	0.0202	0.0119
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.1593	0.1593
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0015	0.0261	0.0404
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1391	0.1319
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.0901	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0326	0.0245
Brugia malayi	nuclear hormone receptor family member odr-7	0.0015	0.0258	0.0175
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0202	0.0119
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0014	0.0202	0.0313
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1391	0.2156
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0326	0.0245
Onchocerca volvulus		0.0015	0.0261	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0101	0.3538	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0034	0.0992	0.1538
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2049	0.3175
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0101	0.3538	0.5483
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0015	0.0261	0.0404
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0014	0.0202	0.0313
Brugia malayi	nuclear receptor RXR	0.0017	0.0326	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Echinococcus granulosus	thyroid hormone receptor alpha	0.0015	0.0258	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2049	0.1981
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0015	0.0261	0.0404
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0015	0.0261	0.0178
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0901	0.0824
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0258	0.0399
Brugia malayi	metabotropic glutamate receptor type 2	0.002	0.0445	0.0364
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1391	0.2156
Loa Loa (eye worm)	acetyltransferase	0.0169	0.6178	0.6145
Onchocerca volvulus		0.0015	0.0261	0.0093
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.0901	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Plasmodium falciparum	histone acetyltransferase GCN5	0.0046	0.1434	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.0901	0.0824
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0015	0.0261	0.0178
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0261	0.0178
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.0901	0.0824
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0041	0.1246	0.1172
Entamoeba histolytica	protein kinase, putative	0.0087	0.3016	1
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0202	0.0342
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.3016	1
Onchocerca volvulus		0.0015	0.0261	0.0093
Brugia malayi	conserved hypotetical protein	0.0015	0.0258	0.0175
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1391	0.2156
Loa Loa (eye worm)	hypothetical protein	0.0086	0.2999	0.2939
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0015	0.0258	0.0399
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Schistosoma mansoni	nAChR subunit	0.0015	0.0261	0.0404
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1391	0.2156
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0258	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6452	0.6452
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0015	0.0261	0.0178
Trichomonas vaginalis	glucosylceramidase, putative	0.0269	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.0901	0.1396
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0901	0.0824
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0258	0.0399
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0326	0.0245
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.0901	0.0824
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.0261	0.0404
Echinococcus granulosus	geminin	0.0177	0.6453	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.1593	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0015	0.0261	0.0404
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.0261	0.0404
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2049	0.3175
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0258	0.0399
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2049	0.1981
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0261	0.0178
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.0261	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Entamoeba histolytica	hypothetical protein	0.0087	0.3016	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.0901	0.1396
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0015	0.0261	0.0178
Giardia lamblia	Histone acetyltransferase GCN5	0.0046	0.1434	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0034	0.0992	0.1538
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.1593	0.2469
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0326	0.0245
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.0901	0.1396
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.0901	0.1396
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0015	0.0258	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0261	0.0178
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2049	0.1981
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0261	0.0404
Brugia malayi	follicle stimulating hormone receptor	0.0233	0.862	0.8608
Brugia malayi	cDNA sequence BC016226	0.0014	0.0202	0.0119
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0261	0.0178
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.0901	0.1396

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 57 %	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine	ChEMBL.	17929796
Activity (functional)	= 57 %	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine	ChEMBL.	17929796
Activity (functional)	= 66 %	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine	ChEMBL.	17929796
Activity (functional)	= 66 %	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine	ChEMBL.	17929796
EC50 (functional)	= -5.03	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
EC50 (functional)	= -4.6	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
EC50 (functional)	= 11.4 uM	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
EC50 (functional)	= 11.4 uM	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
EC50 (functional)	= 25.3 uM	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
EC50 (functional)	= 25.3 uM	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
Ki (binding)	= 1.9 nM	Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in rat brain membrane	ChEMBL.	17929796
Log EC50 (functional)	= 4.6	Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
Log EC50 (functional)	= 5.03	Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay	ChEMBL.	17929796
Log Ki (binding)	= 8.72	Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in rat brain membrane	ChEMBL.	17929796

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.

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External resources for this compound

PubChem: 23636512

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 449542