TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 208.687 | Formula: C11H13ClN2
H donors: 1 H acceptors: 1 LogP: 2.02 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cn1)C1C2CCC1NC2
InChi: 1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2
InChiKey: JEYWCUOEFNZIIU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

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

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Echinococcus granulosus	proteasome subunit alpha type 2	0.0036	0.0477	0.0477
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0054	0.0054
Toxoplasma gondii	proteasome subunit alpha type 1, putative	0.0036	0.0477	0.0254
Toxoplasma gondii	proteasome beta subunit	0.0036	0.0477	0.0254
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0349	0.0349
Echinococcus multilocularis	cysteine protease	0.0025	0.0229	0.0229
Brugia malayi	excitatory GABA receptor EXP-1A	0.003	0.0349	0.0349
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0036	0.0477	0.0477
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0036	0.0477	0.0477
Brugia malayi	proteasome subunit alpha type 4	0.0036	0.0477	0.0477
Onchocerca volvulus	Cathepsin L homolog	0.0025	0.0229	0.0569
Onchocerca volvulus		0.003	0.0349	0.0867
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	ACC-1 protein	0.003	0.0349	0.0349
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Mycobacterium ulcerans	proteasome PrcB	0.0479	1	1
Entamoeba histolytica	proteasome subunit beta type 7-B precursor, putative	0.0036	0.0477	0.0429
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.003	0.0349	0.0349
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0036	0.0477	0.0477
Plasmodium falciparum	proteasome subunit alpha type-3, putative	0.0036	0.0477	0.0254
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0036	0.0477	0.0477
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0054	0.0054
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Leishmania major	proteasome alpha 2 subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Trypanosoma cruzi	cruzipain precursor, putative	0.0025	0.0229	0.0175
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0349	0.0349
Leishmania major	proteasome beta 3 subunit, putative	0.0036	0.0477	0.0254
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Onchocerca volvulus		0.0016	0.0054	0.0135
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Onchocerca volvulus		0.003	0.0349	0.0867
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0016	0.005	0.005
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.0349	0.0349
Toxoplasma gondii	heat shock protein hslv, putative	0.0036	0.0477	0.0254
Leishmania major	proteasome alpha 1 subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Trypanosoma brucei	proteasome subunit alpha type-5, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0036	0.0477	0.0477
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.005	0.005
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0036	0.0477	0.0429
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Plasmodium falciparum	proteasome subunit alpha type-7, putative	0.0036	0.0477	0.0254
Onchocerca volvulus		0.0025	0.0229	0.0569
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0036	0.0477	0.0477
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Plasmodium vivax	proteasome subunit beta type-4, putative	0.0036	0.0477	0.0254
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0036	0.0477	0.0425
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.003	0.0349	0.0349
Echinococcus multilocularis	nAChR subunit	0.003	0.0349	0.0349
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0036	0.0477	0.0477
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0036	0.0477	0.0429
Plasmodium falciparum	proteasome subunit alpha type-4, putative	0.0036	0.0477	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0054	0.0054
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0036	0.0477	0.0425
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.003	0.0349	0.0349
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0036	0.0477	0.0425
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Leishmania major	proteasome alpha 1 subunit, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	proteasome subunit beta type 7	0.0036	0.0477	0.0477
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Leishmania major	proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative)	0.0036	0.0477	0.0254
Entamoeba histolytica	calcium-dependent protein kinase 2, putative	0.0036	0.0477	0.0429
Plasmodium vivax	proteasome subunit alpha type-4, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0025	0.0229	0.0175
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0036	0.0477	0.0477
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0036	0.0477	0.0254
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0036	0.0477	0.0425
Loa Loa (eye worm)	ACC-1 protein	0.003	0.0349	0.0349
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.005	0.005
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Echinococcus granulosus	cathepsin l1	0.0025	0.0229	0.0229
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0201	0.4027	0.4027
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.0349	0.0349
Plasmodium vivax	proteasome subunit beta type-7, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0201	0.4027	0.4027
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0036	0.0477	0.0477
Entamoeba histolytica	proteasome subunit alpha type 2-A, putative	0.0036	0.0477	0.0429
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0229	0.018
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0054	0.0004
Trypanosoma brucei	proteasome alpha 3 subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Plasmodium falciparum	proteasome subunit alpha type-1, putative	0.0036	0.0477	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0425
Plasmodium vivax	proteasome subunit alpha type-5, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0036	0.0477	0.0477
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0036	0.0477	0.0477
Loa Loa (eye worm)	cysteine protease	0.0025	0.0229	0.0229
Brugia malayi	Cation transporter family protein	0.003	0.0349	0.0349
Brugia malayi	Proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Echinococcus granulosus	nAChR subunit	0.0016	0.005	0.005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Plasmodium vivax	proteasome subunit beta type-6, putative	0.0036	0.0477	0.0254
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Leishmania major	proteasome beta 5 subunit, putative	0.0479	1	1
Entamoeba histolytica	proteasome subunit beta Type 4 precursor, putative	0.0036	0.0477	0.0429
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0054	0.0054
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.003	0.0349	0.0349
Trypanosoma brucei	proteasome alpha 7 subunit	0.0036	0.0477	0.0254
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Brugia malayi	proteasome subunit alpha type 2	0.0036	0.0477	0.0477
Toxoplasma gondii	proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative	0.0036	0.0477	0.0254
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Loa Loa (eye worm)	fibroinase	0.0025	0.0229	0.0229
Trypanosoma cruzi	proteasome beta 7 subunit, putative	0.0036	0.0477	0.0425
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0036	0.0477	0.0429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0054	0.0054
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0229	0.0229
Trypanosoma brucei	proteasome beta-1 subunit, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Toxoplasma gondii	proteasome subunit beta type, putative	0.0479	1	1
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0036	0.0477	0.0429
Trypanosoma cruzi	ATP-dependent protease subunit HslV, putative	0.0036	0.0477	0.0425
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.0229	0.0229
Brugia malayi	Cation transporter family protein	0.003	0.0349	0.0349
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0036	0.0477	0.0425
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0036	0.0477	0.0429
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0036	0.0477	0.0477
Trypanosoma cruzi	proteasome subunit alpha type-1, putative	0.0036	0.0477	0.0425
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0036	0.0477	0.0425
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.0349	0.0349
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.003	0.0349	0.0349
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0349	0.0349
Onchocerca volvulus		0.0016	0.005	0.0125
Echinococcus multilocularis	nAChR subunit	0.0016	0.005	0.005
Leishmania major	proteasome beta-1 subunit, putative	0.0036	0.0477	0.0254
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.003	0.0349	0.0349
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0036	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.003	0.0349	0.0349
Plasmodium falciparum	proteasome subunit beta type-6, putative	0.0036	0.0477	0.0254
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Brugia malayi	proteasome subunit alpha type 3	0.0036	0.0477	0.0477
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0036	0.0477	0.0477
Brugia malayi	proteasome subunit alpha type 1	0.0036	0.0477	0.0477
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0036	0.0477	0.0477
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0036	0.0477	0.0477
Trypanosoma brucei	proteasome alpha 2 subunit, putative	0.0036	0.0477	0.0254
Leishmania major	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0254
Trypanosoma brucei	proteasome beta 6 subunit	0.0036	0.0477	0.0254
Schistosoma mansoni	neurotransmitter gated ion channel	0.0016	0.005	0.005
Trypanosoma brucei	proteasome beta 2 subunit, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0425
Entamoeba histolytica	proteasome subunit alpha type 1, putative	0.0036	0.0477	0.0429
Trypanosoma brucei	Proteasome subunit A N-terminal signature/Proteasome subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0036	0.0477	0.0425
Plasmodium vivax	ATP-dependent protease subunit ClpQ, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0036	0.0477	0.0477
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0479	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Onchocerca volvulus		0.003	0.0349	0.0867
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Onchocerca volvulus		0.0025	0.0229	0.0569
Echinococcus granulosus	proteasome subunit beta type 6	0.0036	0.0477	0.0477
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0036	0.0477	0.0477
Toxoplasma gondii	proteasome subunit alpha1, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0479	1	1
Brugia malayi	proteasome subunit beta type 2	0.0036	0.0477	0.0477
Onchocerca volvulus		0.0025	0.0229	0.0569
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.003	0.0349	0.0349
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0201	0.4027	0.4027
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Echinococcus multilocularis	cathepsin L cysteine protease	0.0025	0.0229	0.0229
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0036	0.0477	0.0477
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0229	0.0229
Plasmodium vivax	proteasome subunit alpha type-3, putative	0.0036	0.0477	0.0254
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0229	0.018
Echinococcus granulosus	proteasome subunit beta type 7	0.0036	0.0477	0.0477
Brugia malayi	proteasome subunit beta type 1	0.0036	0.0477	0.0477
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0479	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0016	0.0054	0.0054
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.003	0.0349	0.0349
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0036	0.0477	0.0477
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0229	0.0175
Plasmodium vivax	proteasome subunit alpha type-1, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0016	0.005	0.005
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0054	0.0054
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0201	0.4027	0.4027
Brugia malayi	cathepsin L-like precursor	0.0016	0.0054	0.0054
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0479	1	1
Loa Loa (eye worm)	PAS-3 protein	0.0036	0.0477	0.0477
Brugia malayi	proteasome subunit alpha type 6	0.0036	0.0477	0.0477
Echinococcus multilocularis	proteasome subunit beta type 6	0.0036	0.0477	0.0477
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0025	0.0229	0.0229
Plasmodium falciparum	proteasome subunit alpha type-2, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0025	0.0229	0.0175
Trypanosoma brucei	proteasome alpha 1 subunit, putative	0.0036	0.0477	0.0254
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.003	0.0349	0.0349
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0036	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Leishmania major	proteasome beta 2 subunit, putative	0.0036	0.0477	0.0254
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0036	0.0477	0.0477
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0036	0.0477	0.0477
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Echinococcus granulosus	proteasome subunit alpha type 6	0.0036	0.0477	0.0477
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0036	0.0477	0.0425
Onchocerca volvulus		0.0025	0.0229	0.0569
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Brugia malayi	Cation transporter family protein	0.003	0.0349	0.0349
Leishmania major	hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B	0.0036	0.0477	0.0254
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.003	0.0349	0.0349
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0036	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0201	0.4027	0.4027
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.003	0.0349	0.0349
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0036	0.0477	0.0477
Plasmodium falciparum	proteasome subunit alpha type-5, putative	0.0036	0.0477	0.0254
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0016	0.005	0.005
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0036	0.0477	0.0477
Plasmodium vivax	proteasome subunit alpha type-7, putative	0.0036	0.0477	0.0254
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0036	0.0477	0.0477
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0036	0.0477	0.0429
Echinococcus multilocularis	cysteine protease	0.0025	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0479	1	1
Brugia malayi	Proteasome subunit alpha type 1	0.0036	0.0477	0.0477
Toxoplasma gondii	proteasome subunit alpha type 5-2, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0479	1	1
Leishmania major	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0254
Echinococcus granulosus	nAChR subunit	0.003	0.0349	0.0349
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Entamoeba histolytica	proteasome subunit beta type 6 precursor, putative	0.0036	0.0477	0.0429
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0479	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Plasmodium falciparum	proteasome subunit beta type-7, putative	0.0036	0.0477	0.0254
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0036	0.0477	0.0425
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.003	0.0349	0.0349
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0025	0.0229	0.0229
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0036	0.0477	0.0425
Plasmodium vivax	proteasome subunit beta type-3, putative	0.0036	0.0477	0.0254
Trypanosoma brucei	proteasome beta 7 subunit	0.0036	0.0477	0.0254
Trypanosoma brucei	ATP-dependent protease subunit HslV	0.0036	0.0477	0.0254
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0036	0.0477	0.0477
Plasmodium falciparum	proteasome subunit beta type-4	0.0036	0.0477	0.0254
Trypanosoma cruzi	hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B	0.0036	0.0477	0.0425
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0425
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0229	0.0175
Toxoplasma gondii	20S proteasome subunit beta 7, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0036	0.0477	0.0477
Brugia malayi	20S proteasome alpha5 subunit	0.0036	0.0477	0.0477
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.003	0.0349	0.0349
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0016	0.005	0.005
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.0036	0.0477	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0025	0.0229	0.0229
Echinococcus granulosus	glycine receptor subunit alpha 1	0.003	0.0349	0.0349
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0036	0.0477	0.0429
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0201	0.4027	0.4027
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Brugia malayi	Proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0036	0.0477	0.0477
Toxoplasma gondii	peptidase, T1 family protein	0.0036	0.0477	0.0254
Onchocerca volvulus		0.0025	0.0229	0.0569
Toxoplasma gondii	proteasome subunit alpha type, putative	0.0036	0.0477	0.0254
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0036	0.0477	0.0425
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0036	0.0477	0.0477
Plasmodium vivax	proteasome subunit alpha type-6, putative	0.0036	0.0477	0.0254
Echinococcus granulosus	proteasome prosome macropain	0.0479	1	1
Plasmodium falciparum	proteasome subunit alpha type-6, putative	0.0036	0.0477	0.0254
Leishmania major	proteasome alpha 3 subunit, putative	0.0036	0.0477	0.0254
Brugia malayi	proteasome subunit beta type 3	0.0036	0.0477	0.0477
Onchocerca volvulus	Notchless protein homolog	0.0036	0.0477	0.1186
Onchocerca volvulus		0.003	0.0349	0.0867
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.003	0.0349	0.0349
Trypanosoma brucei	proteasome beta 3 subunit, putative	0.0036	0.0477	0.0254
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0036	0.0477	0.0477
Loa Loa (eye worm)	LGC-31 protein	0.003	0.0349	0.0349
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0229	0.0229
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0229	0.0175
Entamoeba histolytica	proteasome subunit alpha type 6, putative	0.0036	0.0477	0.0429
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0201	0.4027	0.4027
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Loa Loa (eye worm)	ctsf protein	0.0025	0.0229	0.0229
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0036	0.0477	0.0477
Echinococcus multilocularis	cathepsin L cysteine protease	0.0025	0.0229	0.0229
Toxoplasma gondii	proteasome subunit beta type 7 precursor, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0036	0.0477	0.0477
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0229	0.0175
Entamoeba histolytica	cysteine protease, putative	0.0025	0.0229	0.018
Onchocerca volvulus		0.0016	0.005	0.0125
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Leishmania major	proteasome beta 2 subunit, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0036	0.0477	0.0477
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0036	0.0477	0.0429
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0036	0.0477	0.0425
Echinococcus multilocularis	glycine receptor subunit beta	0.003	0.0349	0.0349
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0201	0.4027	0.4027
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0036	0.0477	0.0477
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0479	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.003	0.0349	0.0349
Trypanosoma cruzi	20S proteasome subunit	0.0036	0.0477	0.0425
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0025	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0201	0.4027	0.4027
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0036	0.0477	0.0254
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0036	0.0477	0.0477
Brugia malayi	Proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0349	0.0349
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0229	0.0175
Onchocerca volvulus		0.003	0.0349	0.0867
Onchocerca volvulus		0.0025	0.0229	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Onchocerca volvulus		0.0025	0.0229	0.0569
Onchocerca volvulus	Cathepsin L homolog	0.0025	0.0229	0.0569
Schistosoma mansoni	nAChR subunit	0.003	0.0349	0.0349
Onchocerca volvulus	Cathepsin F homolog	0.0025	0.0229	0.0569
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0036	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0036	0.0477	0.0477
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.003	0.0349	0.0349
Brugia malayi	Proteasome subunit alpha type 7-1	0.0036	0.0477	0.0477
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0036	0.0477	0.0425
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0229	0.0229
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0479	1	1
Entamoeba histolytica	proteasome subunit beta type 3, putative	0.0036	0.0477	0.0429
Trypanosoma cruzi	proteasome beta 2 subunit, putative	0.0036	0.0477	0.0425
Onchocerca volvulus	Putative nachr subunit	0.0201	0.4027	1
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0036	0.0477	0.0477
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0036	0.0477	0.0477
Toxoplasma gondii	proteasome subunit	0.0036	0.0477	0.0254
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0036	0.0477	0.0429
Plasmodium falciparum	proteasome subunit beta type-5	0.0479	1	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.003	0.0349	0.0349
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0025	0.0229	0.0229
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0036	0.0477	0.0425
Loa Loa (eye worm)	GABA receptor subunit	0.0016	0.005	0.005
Plasmodium falciparum	proteasome subunit beta type-3, putative	0.0036	0.0477	0.0254
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0025	0.0229	0.0229
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0479	1	1
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0036	0.0477	0.0429
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0349	0.0349
Plasmodium falciparum	ATP-dependent protease subunit ClpQ	0.0036	0.0477	0.0254
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0036	0.0477	0.0425
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.003	0.0349	0.0349
Echinococcus granulosus	proteasome subunit beta t family	0.0036	0.0477	0.0477
Echinococcus granulosus	Proteasome subunit alpha beta	0.0036	0.0477	0.0477
Trypanosoma brucei	proteasome alpha 7 subunit, putative	0.0036	0.0477	0.0254
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.003	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0016	0.005	0.005
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0479	1	1
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0036	0.0477	0.0477
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0036	0.0477	0.0425
Loa Loa (eye worm)	hypothetical protein	0.003	0.0349	0.0349
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0036	0.0477	0.0254
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0036	0.0477	0.0477
Echinococcus granulosus	cathepsin l1	0.0016	0.0054	0.0054
Plasmodium vivax	proteasome subunit alpha type-2, putative	0.0036	0.0477	0.0254
Onchocerca volvulus		0.003	0.0349	0.0867
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0479	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.003	0.0349	0.0349
Leishmania major	proteasome beta 7 subunit, putative	0.0036	0.0477	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0229	0.0175

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.0785 nM	Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay	ChEMBL.	16934977
Ki (binding)	= 0.0785 nM	Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay	ChEMBL.	16934977
Ki (binding)	= 0.16 nM	Displacement of [3H]epibatidine from human recombinant alpha3beta4 nAChR in HEK293 cells by SPA assay	ChEMBL.	16934977
Ki (binding)	= 0.16 nM	Displacement of [3H]epibatidine from human recombinant alpha3beta4 nAChR in HEK293 cells by SPA assay	ChEMBL.	16934977
Ratio Ki (binding)	= 2.05	Selectivity for human alpha4beta2 nAChR over human alpha3beta4 nAChR	ChEMBL.	16934977

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 412576