TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 217.267 | Formula: C12H15N3O
H donors: 1 H acceptors: 2 LogP: 0.11 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccncc1)N1CC2NCC(C1)C2
InChi: 1S/C12H15N3O/c16-12(10-1-3-13-4-2-10)15-7-9-5-11(8-15)14-6-9/h1-4,9,11,14H,5-8H2
InChiKey: SXXVFTHHNPFWFL-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 7 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, beta 4 (neuronal)		References
Homo sapiens	cholinergic receptor, nicotinic, alpha 3 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, alpha 4 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, beta 2 (neuronal)		References
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Putative nachr 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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
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
Brugia malayi	Cation transporter family protein	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
Onchocerca volvulus		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
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	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 mansoni	nAChR subunit (ShAR1-alpha-like)	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 mansoni	nAChR subunit (ShAR1-beta-like)	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
Echinococcus multilocularis	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
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus		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	ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative	Get druggable targets OG5_130932	All targets in OG5_130932

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 2 (neuronal)	502 aa	482 aa	32.4 %
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
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0148	0.1617	0.3727
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0301	0.3843	0.4401
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Schistosoma mansoni	neurotransmitter gated ion channel	0.0053	0.0219	0.0219
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Schistosoma mansoni	neurotransmitter gated ion channel	0.0045	0.0109	0.0109
Onchocerca volvulus	Putative nachr subunit	0.0269	0.3375	1
Onchocerca volvulus		0.0045	0.0109	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0183	0.2127	0.3888
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0269	0.3375	0.3375
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0046	0.0125	0.0408
Onchocerca volvulus		0.0053	0.0219	0.065
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0098	0.0878	0.1606
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0098	0.0878	0.0878
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0212	0.2544	0.2544
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0215	0.2583	0.8411
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0046	0.0125	0.0229
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0215	0.2583	0.9664
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0045	0.0109	0.0199
Echinococcus multilocularis	glycogen phosphorylase	0.022	0.2665	0.2665
Onchocerca volvulus		0.0248	0.3071	0.91
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0206	0.0206
Loa Loa (eye worm)	PDE1B protein	0.0212	0.2544	0.4651
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0046	0.0125	0.0408
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0098	0.0878	0.1606
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0098	0.0878	0.1606
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0109	0.1039	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0412	0.547	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0636	0.8732	1
Leishmania major	mitochondrial DNA polymerase beta	0.0636	0.8732	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0109	0.0199
Echinococcus granulosus	Glycosyl transferase family 35	0.022	0.2665	0.2665
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Onchocerca volvulus		0.0215	0.2583	0.7654
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0269	0.3375	0.3375
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0098	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0215	0.2583	0.5953
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0269	0.3375	0.3375
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0089	0.0755	0.0864
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0212	0.2544	0.2544
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Schistosoma mansoni	nAChR subunit	0.0045	0.0109	0.0109
Loa Loa (eye worm)	ACC-1 protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0269	0.3375	0.617
Echinococcus multilocularis	glycine receptor subunit beta	0.0098	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0085	0.0688	0.0788
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Echinococcus multilocularis	nAChR subunit	0.0053	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Giardia lamblia	Glycogen phosphorylase	0.022	0.2665	1
Brugia malayi	hypothetical protein	0.0045	0.0109	0.0199
Leishmania major	hypothetical protein, conserved	0.0066	0.0415	0.0476
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.2966	0.6837
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0636	0.8732	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1467	0.2683
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0085	0.0688	0.0788
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0046	0.0125	0.0125
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0053	0.0219	0.0219
Loa Loa (eye worm)	LGC-31 protein	0.0098	0.0878	0.1606
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0081	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Trichomonas vaginalis	conserved hypothetical protein	0.0081	0.0629	0.2049
Brugia malayi	excitatory GABA receptor EXP-1A	0.0098	0.0878	0.1606
Echinococcus multilocularis	tumor protein p63	0.0354	0.4616	0.4616
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Brugia malayi	Cation transporter family protein	0.0098	0.0878	0.1606
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0215	0.2583	0.8411
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0215	0.2583	0.9664
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.3071	1
Schistosoma mansoni	glycogen phosphorylase	0.0095	0.084	0.084
Entamoeba histolytica	glycogen phosphorylase, putative	0.0095	0.084	0.2537
Echinococcus granulosus	nAChR subunit	0.0098	0.0878	0.0878
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0045	0.0109	0.0109
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0046	0.0125	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0046	0.0125	0.0229
Echinococcus granulosus	tumor protein p63	0.0354	0.4616	0.4616
Brugia malayi	carbohydrate phosphorylase	0.022	0.2665	0.4873
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0215	0.2583	0.8411
Trypanosoma brucei	RNA helicase, putative	0.0151	0.1657	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0183	0.2127	0.3888
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0098	0.0878	0.0878
Onchocerca volvulus		0.0183	0.2127	0.6302
Entamoeba histolytica	glycogen phosphorylase, putative	0.022	0.2665	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0098	0.0878	0.1606
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0098	0.0878	0.1606
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0269	0.3375	0.3375
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0109	0.1039	0.1039
Chlamydia trachomatis	glycogen phosphorylase	0.022	0.2665	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0109	0.1039	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0109	0.104	0.1191
Brugia malayi	hypothetical protein	0.0045	0.0109	0.0199
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0061	0.0342	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0109	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0081	0.0629	0.0721
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0053	0.0219	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0215	0.2583	0.9494
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0045	0.0109	0.0109
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0109	0.1039	0.1039
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0089	0.0755	0.0864
Echinococcus granulosus	glycine receptor subunit beta	0.0098	0.0878	0.0878
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0085	0.0688	0.0688
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0085	0.0688	0.6628
Brugia malayi	hypothetical protein	0.0045	0.0109	0.0199
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0045	0.0109	0.0199
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0066	0.0415	0.1353
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0066	0.0415	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	GABA receptor subunit	0.0053	0.0219	0.0401
Schistosoma mansoni	neurotransmitter gated ion channel	0.0045	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Entamoeba histolytica	glycogen phosphorylase, putative	0.0095	0.084	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1039	0.1899
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0053	0.0219	0.0219
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0081	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Onchocerca volvulus		0.0052	0.0206	0.0609
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0098	0.0878	0.0878
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0082	0.065	0.1189
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0089	0.0755	0.0864
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0098	0.0878	0.1606
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0241	0.0785
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0061	0.0342	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0085	0.0688	0.6628
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0183	0.2127	0.2127
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0053	0.0219	0.0401
Trichomonas vaginalis	glycogen phosphorylase, putative	0.022	0.2665	0.8679
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0098	0.0878	0.0878
Brugia malayi	Cation transporter family protein	0.0183	0.2127	0.3888
Entamoeba histolytica	glycogenphosphorylase, putative	0.0095	0.084	0.2537
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0215	0.2583	0.8411
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0269	0.3375	0.617
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0082	0.065	0.065
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0053	0.0219	0.0401
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0241	0.0785
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Onchocerca volvulus		0.0053	0.0219	0.065
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0098	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Onchocerca volvulus		0.0098	0.0878	0.2603
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0109	0.1039	0.1039
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0412	0.547	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0301	0.3843	0.4401
Onchocerca volvulus		0.0098	0.0878	0.2603
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0089	0.0755	0.0864
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0081	0.0629	0.0721
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0095	0.084	0.1936
Schistosoma mansoni	hypothetical protein	0.0151	0.1657	0.1657
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0081	0.0629	0.0721
Loa Loa (eye worm)	glycogen phosphorylase	0.022	0.2665	0.4873
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0061	0.0342	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0085	0.0688	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0098	0.0878	0.0878
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0085	0.0688	0.0788
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0082	0.065	0.065
Echinococcus granulosus	glycogen phosphorylase	0.022	0.2665	0.2665
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0269	0.3375	0.3375
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0183	0.2127	0.2127
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0098	0.0878	0.0878
Echinococcus multilocularis	nAChR subunit	0.0098	0.0878	0.0878
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0085	0.0688	0.0688
Echinococcus multilocularis	Glycosyl transferase, family 35	0.022	0.2665	0.2665
Schistosoma mansoni	microtubule-associated protein tau	0.0723	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0098	0.0878	0.0878
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0081	0.0629	0.0721
Onchocerca volvulus	Glycogen phosphorylase homolog	0.022	0.2665	0.7898
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Echinococcus granulosus	nAChR subunit	0.0053	0.0219	0.0219
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0098	0.0878	0.1606
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0269	0.3375	0.617
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0053	0.0219	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Loa Loa (eye worm)	ACC-1 protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0045	0.0109	0.0199
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0241	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0415	0.0476
Brugia malayi	Cation transporter family protein	0.0098	0.0878	0.1606
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0045	0.0109	0.0109
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0081	0.0629	0.0629
Schistosoma mansoni	nAChR subunit	0.0045	0.0109	0.0109
Mycobacterium leprae	Probable lipase LipE	0.0038	0	0.5
Toxoplasma gondii	hypothetical protein	0.0054	0.0241	0.2321
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0046	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0125	0.0229
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0412	0.547	0.547
Schistosoma mansoni	glycogen phosphorylase	0.022	0.2665	0.2665
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0109	0.1039	0.1039
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0269	0.3375	0.3375
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0098	0.0878	0.1606
Brugia malayi	hypothetical protein	0.0045	0.0109	0.0199
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0045	0.0109	0.0109
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0098	0.0878	0.0878
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Mycobacterium leprae	conserved hypothetical protein	0.0038	0	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0081	0.0629	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0098	0.0878	0.0878
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0046	0.0125	0.0125
Entamoeba histolytica	glycogen phosphorylase, putative	0.022	0.2665	1
Onchocerca volvulus		0.0045	0.0109	0.0322
Brugia malayi	Pre-SET motif family protein	0.0218	0.2631	0.4811
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0109	0.0199
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0045	0.0109	0.0109
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0636	0.8732	1
Echinococcus granulosus	glycogen phosphorylase	0.022	0.2665	0.2665
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0215	0.2583	0.8411
Schistosoma mansoni	acetylcholine receptor-related	0.0045	0.0109	0.0109
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0045	0.0109	0.0109
Toxoplasma gondii	hypothetical protein	0.0103	0.0947	0.9116
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0098	0.0878	0.0878
Echinococcus multilocularis	glycine receptor subunit beta	0.0098	0.0878	0.0878
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0212	0.2544	0.2544
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0412	0.547	0.547
Schistosoma mansoni	glycogen phosphorylase	0.022	0.2665	0.2665
Trichomonas vaginalis	glycogen phosphorylase, putative	0.022	0.2665	0.8679
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0081	0.0629	0.2049
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0212	0.2544	0.4651
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0045	0.0109	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Loa Loa (eye worm)	acetylcholine receptor protein	0.0045	0.0109	0.0199
Onchocerca volvulus		0.0183	0.2127	0.6302
Onchocerca volvulus		0.0183	0.2127	0.6302
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0082	0.065	0.1189
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.2631	0.4811
Echinococcus multilocularis	microtubule associated protein 2	0.0723	1	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0412	0.547	0.547
Onchocerca volvulus		0.0098	0.0878	0.2603
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0415	0.0476
Brugia malayi	hypothetical protein	0.0045	0.0109	0.0199
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0081	0.0629	0.2049
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0085	0.0688	0.0788
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0095	0.084	0.1936
Onchocerca volvulus		0.0045	0.0109	0.0322
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0066	0.0415	0.1353
Mycobacterium ulcerans	hypothetical protein	0.0335	0.4339	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0098	0.0878	0.1606
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0301	0.3843	0.4401
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0206	0.0376
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0215	0.2583	0.4723
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0215	0.2583	0.4723
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0081	0.0629	0.0721
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0045	0.0109	0.0199
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0335	0.4339	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0098	0.0878	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.0401
Echinococcus multilocularis	glycogen phosphorylase	0.022	0.2665	0.2665
Echinococcus granulosus	glycine receptor subunit beta	0.0098	0.0878	0.0878
Schistosoma mansoni	nAChR subunit	0.0098	0.0878	0.0878
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0098	0.0878	0.1606
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0098	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0109	0.0199
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0098	0.0878	0.0878
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0215	0.2583	0.8411

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 9.2 uM	Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium flux by calcium4-based FLIPR assay	ChEMBL.	22793665
EC50 (functional)	= 42 uM	Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay	ChEMBL.	22793665
Emax (functional)	= 8 %	Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay relative to nicotine	ChEMBL.	22793665
Emax (functional)	= 110 %	Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium flux by calcium4-based FLIPR assay relative to nicotine	ChEMBL.	22793665
Ki (binding)	= 25 nM	Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat cortex after 2 hrs by liquid scintillation counting	ChEMBL.	22793665
Ki (binding)	= 30 nM	Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay	ChEMBL.	22793665
Ki (binding)	= 1.3 uM	Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting	ChEMBL.	22793665
Ki (binding)	= 1.5 uM	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting	ChEMBL.	22793665

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: CHEMBL2179525

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1719585