TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.823 | Formula: C18H19ClN4O
H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1c1noc(c1)c1cnn(c1C)C1CCNCC1
InChi: 1S/C18H19ClN4O/c1-12-15(11-21-23(12)13-6-8-20-9-7-13)18-10-17(22-24-18)14-4-2-3-5-16(14)19/h2-5,10-11,13,20H,6-9H2,1H3
InChiKey: QRRFQNFXXUZNAT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-4 subunit	Starlite/ChEMBL	References
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2		References
Homo sapiens	cholinergic receptor, nicotinic, alpha 4 (neuronal)	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, nicotinic, beta 2 (neuronal)		References

Predicted pathogen targets for this compound

By orthology

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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0129	0.0366	0.037
Schistosoma mansoni	cpg binding protein	0.006	0.0157	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0046	0.0018
Echinococcus granulosus	glycine receptor subunit beta	0.0068	0.0181	0.0496
Schistosoma mansoni	nAChR subunit	0.0031	0.007	0.0195
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0046	0.0022
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0046	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0239	0.07	0.1937
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0002	0.0006
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0032	0.0047
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.007	0.0189
Plasmodium falciparum	carbonic anhydrase	0.0623	0.1868	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0239	0.07	0.1937
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Echinococcus multilocularis	nAChR subunit	0.0036	0.0086	0.0233
Schistosoma mansoni	neurotransmitter gated ion channel	0.0036	0.0086	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0082	0.0223
Echinococcus granulosus	glycine receptor subunit beta	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0239	0.07	0.1937
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0082	0.0601
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0068	0.0181	0.0496
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0031	0.007	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0111	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0046	0.012
Brugia malayi	hypothetical protein	0.0031	0.007	0.0189
Echinococcus multilocularis	glycine receptor subunit beta	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0239	0.07	0.1937
Leishmania major	carbonic anhydrase family protein, putative	0.0381	0.1133	0.3113
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0068	0.0181	0.0496
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0015	0.0001
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0068	0.0181	0.0496
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0111	0.0303
Echinococcus granulosus	nAChR subunit	0.0068	0.0181	0.0496
Loa Loa (eye worm)	GABA receptor subunit	0.0036	0.0086	0.0233
Brugia malayi	Cation transporter family protein	0.0068	0.0181	0.0496
Echinococcus multilocularis	cpg binding protein	0.006	0.0157	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	neurotransmitter gated ion channel	0.0031	0.007	0.0195
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0082	0.0068
Loa Loa (eye worm)	ACC-1 protein	0.0068	0.0181	0.0496
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.0458	0.1265
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0031	0.007	0.0189
Echinococcus multilocularis	geminin	0.0165	0.0477	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0046	0.012
Loa Loa (eye worm)	hypothetical protein	0.018	0.0521	0.1438
Echinococcus multilocularis	dnaJ subfamily B	0.0399	0.1187	0.3287
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	dishevelled	0.0009	0.0002	0.0006
Onchocerca volvulus		0.0068	0.0181	0.0933
Onchocerca volvulus		0.0031	0.007	0.0355
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0032	0.0151
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0068	0.0181	0.0496
Onchocerca volvulus		0.0036	0.0086	0.0438
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0111	0.0303
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0032	0.0047
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0102	0.0285	0.1397
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0068	0.0181	0.0496
Echinococcus multilocularis	carbonic anhydrase	0.0623	0.1868	0.5178
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0111	0.0309
Schistosoma mansoni	carbonic anhydrase-related	0.0623	0.1868	0.5181
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0002	0.0006
Onchocerca volvulus	Putative sulfate transporter	0.064	0.1919	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0046	0.012
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0036	0.0086	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0071
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0031	0.007	0.0189
Schistosoma mansoni	alpha-glucosidase	0.0137	0.0391	0.1083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.0029	0.0073
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.0458	0.1265
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0082	0.0068
Loa Loa (eye worm)	LGC-31 protein	0.0068	0.0181	0.0496
Brugia malayi	hypothetical protein	0.0031	0.007	0.0189
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0013	0.0015	0.0036
Onchocerca volvulus		0.0068	0.0181	0.0933
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0068	0.0181	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0739	0.222	0.2384
Trichomonas vaginalis	conserved hypothetical protein	0.3301	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0068	0.0181	0.0496
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0623	0.1868	0.5178
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0239	0.07	0.1937
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0015	0.0036
Brugia malayi	hypothetical protein	0.0031	0.007	0.0189
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0036	0.0086	0.0233
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0623	0.1868	0.5178
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0068	0.0181	0.0496
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0015	0.0001
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0032	0.0004
Entamoeba histolytica	hypothetical protein	0.0036	0.0086	0.0635
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0046	0.0022
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0082	0.0187
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0082	0.0068
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0082	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	ap endonuclease	0.0019	0.0032	0.0089
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.012	0.034	0.0942
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0239	0.07	0.1937
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0031	0.007	0.0189
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0082	0.0068
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0015	0.0001
Echinococcus granulosus	carbonic anhydrase II	0.1196	0.3606	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0046	0.012
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0032	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0068	0.0181	0.0496
Echinococcus granulosus	carbonic anhydrase	0.0623	0.1868	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0002	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Leishmania major	carbonic anhydrase-like protein	0.1196	0.3606	1
Loa Loa (eye worm)	ACC-1 protein	0.0068	0.0181	0.0496
Brugia malayi	CXXC zinc finger family protein	0.0057	0.0147	0.0402
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0032	0.5
Mycobacterium leprae	Probable transmembrane transport protein	0.0739	0.222	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.007	0.0189
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0068	0.0181	0.0496
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0623	0.1868	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Onchocerca volvulus		0.0023	0.0046	0.0226
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0068	0.0181	0.0496
Schistosoma mansoni	carbonic anhydrase	0.0381	0.1133	0.3142
Onchocerca volvulus		0.0036	0.0086	0.0438
Onchocerca volvulus	Putative nachr subunit	0.0239	0.07	0.3641
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0057	0.0147	0.0402
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0013	0.0015	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Schistosoma mansoni	alpha-glucosidase	0.0137	0.0391	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0623	0.1868	0.5178
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.3049	0.9233	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0032	0.0083
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0032	0.0008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0068	0.0181	0.0502
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0068	0.0181	0.0496
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0239	0.07	0.1937
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0032	0.5
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0082	0.043
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0031	0.007	0.0189
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Onchocerca volvulus		0.0068	0.0181	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0015	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0239	0.07	0.1937
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0068	0.0181	0.0502
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0014	0.0018	0.0044
Onchocerca volvulus		0.0068	0.0181	0.0933
Echinococcus granulosus	carbonic anhydrase	0.0623	0.1868	0.5178
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0068	0.0181	0.0496
Schistosoma mansoni	hypothetical protein	0.0165	0.0477	0.1323
Onchocerca volvulus		0.0068	0.0181	0.0933
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0068	0.0181	0.0496
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0046	0.0084
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0102	0.0285	0.0751
Echinococcus granulosus	dnaJ subfamily B	0.0399	0.1187	0.3287
Plasmodium vivax	sulfate transporter, putative	0.0102	0.0285	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0028	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0111	0.0309
Chlamydia trachomatis	sulfate transporter	0.0102	0.0285	1
Brugia malayi	Cation transporter family protein	0.0068	0.0181	0.0496
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0014	0.0018	0.0044
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.0458	0.1265
Loa Loa (eye worm)	histone methyltransferase	0.0018	0.0029	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0068	0.0181	0.0496
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0068	0.0181	0.0496
Schistosoma mansoni	carbonic anhydrase-related	0.0623	0.1868	0.5181
Schistosoma mansoni	carbonic anhydrase	0.0623	0.1868	0.5181
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0111	0.0303
Onchocerca volvulus		0.0031	0.007	0.0355
Schistosoma mansoni	carbonic anhydrase-related	0.0623	0.1868	0.5181
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0111	0.0303
Echinococcus granulosus	geminin	0.0165	0.0477	0.1318
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0031	0.007	0.0189
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0068	0.0181	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0046	0.0018
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0068	0.0181	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0031	0.007	0.0189
Schistosoma mansoni	dep domain containing protein	0.0009	0.0002	0.0006
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.0029	0.0073
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0031	0.007	0.0189
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1196	0.3606	1
Echinococcus granulosus	cpg binding protein	0.006	0.0157	0.0429
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1196	0.3606	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0082	0.0068
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0068	0.0181	0.0502
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0623	0.1868	0.5178
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0068	0.0181	0.0496
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0623	0.1868	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Trypanosoma brucei	carbonic anhydrase-like protein	0.1196	0.3606	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0046	0.0084
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0046	0.0271
Echinococcus multilocularis	nAChR subunit	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1196	0.3606	1
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0031	0.007	0.0195
Echinococcus multilocularis	carbonic anhydrase	0.0623	0.1868	0.5178
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0036	0.0086	0.0233
Brugia malayi	hypothetical protein	0.0031	0.007	0.0189
Echinococcus granulosus	nAChR subunit	0.0036	0.0086	0.0233
Echinococcus multilocularis	carbonic anhydrase	0.0623	0.1868	0.5178
Toxoplasma gondii	hypothetical protein	0.0623	0.1868	1
Schistosoma mansoni	cpg binding protein	0.006	0.0157	0.0435
Schistosoma mansoni	dishevelled	0.0009	0.0002	0.0006
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0068	0.0181	0.0496
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0046	0.012
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1196	0.3606	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0082	0.0601
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0032	0.0018
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0082	0.0223
Onchocerca volvulus		0.0068	0.0181	0.0933
Mycobacterium ulcerans	carbonic anhydrase	0.0381	0.1133	0.1108
Onchocerca volvulus		0.0031	0.007	0.0355
Brugia malayi	N-terminal motif family protein	0.018	0.0521	0.1438
Schistosoma mansoni	hypothetical protein	0.0165	0.0477	0.1323
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0032	0.0083
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0111	0.0303
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0036	0.0086	0.0239
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0032	0.0047
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0014	0.0018	0.0044
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0992	0.2987	0.3217
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0032	0.0047
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0028	0.0003
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0082	0.0068
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0046	0.0018
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0015	0.0001
Schistosoma mansoni	hypothetical protein	0.0399	0.1187	0.3291
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0082	0.0068
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Onchocerca volvulus		0.064	0.1919	1
Entamoeba histolytica	carbonic anhydrase, putative	0.0381	0.1133	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0046	0.0084
Echinococcus multilocularis	carbonic anhydrase II	0.1196	0.3606	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0032	0.0168
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0013	0.0015	0.0001
Schistosoma mansoni	acetylcholine receptor-related	0.0031	0.007	0.0195
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0102	0.0285	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0623	0.1868	0.5178
Schistosoma mansoni	hypothetical protein	0.0623	0.1868	0.5181
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0014	0.0018	0.005
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Schistosoma mansoni	cpg binding protein	0.0057	0.0147	0.0408
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0623	0.1868	0.5178
Loa Loa (eye worm)	carbonic anhydrase 3	0.1196	0.3606	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0046	0.0018
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0014	0.0018	0.0044
Brugia malayi	excitatory GABA receptor EXP-1A	0.0068	0.0181	0.0496
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1196	0.3606	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0082	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0071
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0082	0.0068
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0046	0.0018
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1196	0.3606	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0036	0.0086	0.0233
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0032	0.0018
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Schistosoma mansoni	neurotransmitter gated ion channel	0.0031	0.007	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0102	0.0285	0.1516
Loa Loa (eye worm)	hypothetical protein	0.0623	0.1868	0.5178
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0031	0.007	0.0189
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0046	0.0271
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0071
Echinococcus granulosus	carbonic anhydrase	0.0623	0.1868	0.5178
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0102	0.0285	0.0751
Onchocerca volvulus		0.0057	0.0147	0.0756
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0102	0.0285	0.0751
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.0458	0.1265
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0046	0.0018
Brugia malayi	hypothetical protein	0.0031	0.007	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0233
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0046	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0046	0.0271
Brugia malayi	Cation transporter family protein	0.0068	0.0181	0.0496
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.0458	0.1265
Schistosoma mansoni	ap endonuclease	0.0019	0.0032	0.0089
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0032	0.0083
Trypanosoma brucei	glucosidase, putative	0.0035	0.0082	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0071
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0239	0.07	0.1937
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0111	0.0303
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Schistosoma mansoni	nAChR subunit	0.0031	0.007	0.0195
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0036	0.0086	0.0239
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0381	0.1133	0.4999
Trichomonas vaginalis	conserved hypothetical protein	0.3301	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0015	0.0001
Mycobacterium ulcerans	integral membrane transporter	0.0102	0.0285	0.0258
Loa Loa (eye worm)	acetylcholine receptor protein	0.0031	0.007	0.0189
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0031	0.007	0.0189
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1196	0.3606	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0068	0.0181	0.0496
Schistosoma mansoni	alpha glucosidase	0.0035	0.0082	0.0229
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0082	0.0187
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0068	0.0181	0.0496
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0082	0.0223
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0031	0.007	0.0189
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0032	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0046	0.0018
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.0181	0.0496
Echinococcus multilocularis	glycine receptor subunit beta	0.0068	0.0181	0.0496
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0082	0.0068
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0107	0.0301	0.16
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0102	0.0285	0.0258
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0031	0.007	0.0189
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0032	0.0024
Onchocerca volvulus		0.0092	0.0254	0.1316
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0068	0.0181	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0181	0.0496
Toxoplasma gondii	exonuclease III APE	0.0019	0.0032	0.0161
Schistosoma mansoni	nAChR subunit	0.0068	0.0181	0.0502
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.018	0.0521	0.2704
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0015	0.0001
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0068	0.0181	0.0496

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Activation of rat alpha4beta2 nAChR expressed in HEK293 cells assessed as potentiation of acetylcholine-induced current by whole cell patch clamp	ChEMBL.	18789861
Activity (binding)		Displacement of [3H]cytisine from human alpha4beta2 nAChR at =>30 uM	ChEMBL.	18789861
EC50 (binding)	= 0.018 uM	Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current	ChEMBL.	18789861
EC50 (binding)	= 0.02 uM	Activation of rat alpha4beta2 nAChR by fluorescence assay	ChEMBL.	18789861
EC50 (binding)	> 100 uM	Activation of human alpha7 nAChR assessed as potentiation of submaximal response to nicotine induced current	ChEMBL.	18789861
Efficacy (binding)	= 71 %	Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current relative to maximal nicotine response	ChEMBL.	18789861

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: CHEMBL504947

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1001882