TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 244.332 | Formula: C15H20N2O
H donors: 0 H acceptors: 1 LogP: 1.68 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cncc(c1)C1=CC2CC(C1)CN(C2)C
InChi: 1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3
InChiKey: PMQMQOADOYNRNP-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, beta 2 (neuronal)		References
Homo sapiens	cholinergic receptor, nicotinic, alpha 3 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, beta 4 (neuronal)		References
Homo sapiens	cholinergic receptor, nicotinic, alpha 7 (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
Schistosoma japonicum	IPR006201,Neurotransmitter-gated ion-channel;IPR006029,Neurotransmitter-gated ion-channel transmembrane region,domain-containing	Get druggable targets OG5_130932	All targets in OG5_130932
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	Get druggable targets OG5_128160	All targets in OG5_128160
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	Get druggable targets OG5_130932	All targets in OG5_130932
Brugia malayi	Cation transporter family protein	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus	Putative nachr 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
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
Echinococcus granulosus	nicotinic acetylcholine receptor alpha 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
Schistosoma japonicum	ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha 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
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
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, beta 2 (neuronal)	502 aa	482 aa	32.4 %
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	cholinergic receptor, nicotinic, alpha 7 (neuronal)	502 aa	513 aa	33.9 %
Brugia malayi	Cation transporter family protein	cholinergic receptor, nicotinic, alpha 3 (neuronal)	505 aa	486 aa	34.6 %
Brugia malayi	Cation transporter family protein	cholinergic receptor, nicotinic, beta 4 (neuronal)	498 aa	508 aa	31.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0032	0.0402	0.5002
Brugia malayi	Cation transporter family protein	0.0161	0.6178	0.6018
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Echinococcus granulosus	c src tyrosine kinase	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0075	0.2356	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0035	0.0543	0.0147
Loa Loa (eye worm)	TTK protein kinase	0.0142	0.5349	0.5155
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0032	0.0402	0.0402
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0041	0.0803	0.0418
Echinococcus granulosus	glycine receptor subunit beta	0.0075	0.2356	0.2356
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0032	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.2356	0.2036
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0075	0.2356	0.2356
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0161	0.6178	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0041	0.0803	0.0418
Schistosoma mansoni	neurotransmitter gated ion channel	0.0035	0.0543	0.0878
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Brugia malayi	Protein kinase domain containing protein	0.0142	0.5349	0.5155
Echinococcus granulosus	tyrosine protein kinase Blk	0.0032	0.0402	0.0402
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Echinococcus multilocularis	tyrosine protein kinase shark	0.0032	0.0402	0.0402
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0035	0.0543	0.0147
Loa Loa (eye worm)	GABA receptor subunit	0.0041	0.0803	0.0418
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.2356	0.3814
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.2356	0.3814
Onchocerca volvulus		0.0041	0.0803	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Brugia malayi	excitatory GABA receptor EXP-1A	0.0075	0.2356	0.2036
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0032	0.0402	0.0402
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0032	0.0442	0.0442
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0035	0.0543	0.0147
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0035	0.0543	0.0543
Onchocerca volvulus		0.0161	0.6178	0.6018
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0032	0.0402	0.0402
Echinococcus multilocularis	nAChR subunit	0.0075	0.2356	0.2356
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0161	0.6178	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0803	1
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0075	0.2356	0.2036
Onchocerca volvulus		0.0161	0.6178	0.6018
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0075	0.2356	0.2356
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Schistosoma mansoni	nAChR subunit	0.0035	0.0543	0.0878
Brugia malayi	ecdysteroid receptor	0.0174	0.6779	0.6645
Loa Loa (eye worm)	ACC-1 protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	ACC-1 protein	0.0075	0.2356	0.2036
Echinococcus granulosus	tyrosine kinase	0.0032	0.0402	0.0402
Brugia malayi	Cation transporter family protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Onchocerca volvulus		0.0035	0.0543	0.0147
Loa Loa (eye worm)	acetylcholine receptor protein	0.0035	0.0543	0.0147
Brugia malayi	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0041	0.0803	0.13
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Echinococcus multilocularis	nAChR subunit	0.0041	0.0803	0.0803
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0032	0.0402	0.0402
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Brugia malayi	hypothetical protein	0.0035	0.0543	0.0147
Onchocerca volvulus		0.0041	0.0803	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Brugia malayi	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0075	0.2356	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0041	0.0803	0.13
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0032	0.0402	0.0402
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0075	0.2356	0.3814
Schistosoma mansoni	acetylcholine receptor-related	0.0035	0.0543	0.0878
Giardia lamblia	Kinase, TTK	0.0142	0.5349	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0126	0.4625	0.44
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0075	0.2356	0.2036
Brugia malayi	Cation transporter family protein	0.0075	0.2356	0.2036
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0035	0.0543	0.0147
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.2356	0.2036
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0075	0.2356	0.2356
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0075	0.2356	0.2036
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0032	0.0402	0.0402
Onchocerca volvulus	Bile acid receptor homolog	0.0174	0.6779	0.6645
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0035	0.0543	0.0543
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0035	0.0543	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Loa Loa (eye worm)	LGC-31 protein	0.0075	0.2356	0.2036
Brugia malayi	hypothetical protein	0.0035	0.0543	0.0147
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Echinococcus granulosus	tyrosine protein kinase Srms	0.0032	0.0402	0.0402
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0075	0.2356	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Echinococcus granulosus	glycine receptor subunit beta	0.0075	0.2356	0.2356
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0035	0.0543	0.0543
Echinococcus granulosus	tyrosine kinase	0.0032	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Trichomonas vaginalis	CAMK family protein kinase	0.0142	0.5349	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0032	0.0402	0.065
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0032	0.0402	0.0402
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0032	0.0402	0.0402
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0075	0.2356	0.2356
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0041	0.0803	0.0418
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0032	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Onchocerca volvulus		0.0035	0.0543	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Schistosoma mansoni	nAChR subunit	0.0035	0.0543	0.0878
Onchocerca volvulus		0.0075	0.2356	0.2036
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0174	0.6779	0.6645
Onchocerca volvulus		0.0161	0.6178	0.6018
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0142	0.5349	0.5349
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0075	0.2356	0.2036
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0032	0.0402	0.0402
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0142	0.5349	0.5349
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Echinococcus multilocularis	tyrosine kinase	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Onchocerca volvulus		0.0035	0.0543	0.0147
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Schistosoma mansoni	neurotransmitter gated ion channel	0.0041	0.0803	0.13
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0032	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0041	0.0803	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0161	0.6178	0.6018
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Onchocerca volvulus		0.0075	0.2356	0.2036
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0075	0.2356	0.2356
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0032	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0035	0.0543	0.0147
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0402	0.0402
Trichomonas vaginalis	CAMK family protein kinase	0.0142	0.5349	0.5
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0075	0.2356	0.2036
Echinococcus multilocularis	glycine receptor subunit beta	0.0075	0.2356	0.2356
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Onchocerca volvulus		0.0075	0.2356	0.2036
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0032	0.0402	0.0402
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0075	0.2356	0.2036
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0075	0.2356	0.2036
Echinococcus granulosus	nAChR subunit	0.0075	0.2356	0.2356
Schistosoma mansoni	tyrosine kinase	0.0032	0.0402	0.065
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0075	0.2356	0.2356
Echinococcus multilocularis	glycine receptor subunit beta	0.0075	0.2356	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0803	0.0418
Echinococcus granulosus	nAChR subunit	0.0041	0.0803	0.0803
Brugia malayi	hypothetical protein	0.0035	0.0543	0.0147
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0075	0.2356	0.2036
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0075	0.2356	0.2036
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0142	0.5349	0.5155
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0075	0.2356	0.2036
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0032	0.0402	0.0402
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0075	0.2356	0.3814
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0075	0.2356	0.2036
Schistosoma mansoni	nAChR subunit	0.0075	0.2356	0.3814
Echinococcus granulosus	tyrosine protein kinase shark	0.0032	0.0402	0.0402
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0035	0.0543	0.0147
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0035	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2356	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0161	0.6178	0.6018
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0142	0.5349	0.8659
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0035	0.0543	0.0543
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0032	0.0402	0.0402
Schistosoma mansoni	neurotransmitter gated ion channel	0.0035	0.0543	0.0878
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0032	0.0402	0.0402
Echinococcus multilocularis	c src tyrosine kinase	0.0032	0.0402	0.0402
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0075	0.2356	0.2356

Activities

Activity type	Activity value	Assay description	Source	Reference
%max (functional)	= 15 %	Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR relative to 10 uM nicotine	ChEMBL.	23025891
%max (functional)	= 19 %	Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR relative to 10 uM nicotine	ChEMBL.	23025891
%max (functional)	= 27 %	Agonist activity at human alpha3beta4 nAChR expressed in human SH-SY5Y cells assessed as increase in calcium flux by FLIPR relative to 10 uM nicotine	ChEMBL.	23025891
EC50 (functional)	= 2660 nM	Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR	ChEMBL.	23025891
EC50 (functional)	= 3641 nM	Agonist activity at human alpha3beta4 nAChR expressed in human SH-SY5Y cells assessed as increase in calcium flux by FLIPR	ChEMBL.	23025891
EC50 (functional)	= 5133 nM	Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR	ChEMBL.	23025891
Ki (binding)	= 0.6 nM	Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells	ChEMBL.	23025891
Ki (binding)	= 596 nM	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in human SH-SY5Y cells	ChEMBL.	23025891
Ki (binding)	= 605 nM	Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells	ChEMBL.	23025891

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

ChEMBL: CHEMBL2177542

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1723018