TDR Targets

Basic information

Technical information

TDR Targets ID: 54658
Name: 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diaz epan-6-yl)-2-methoxypyridine-3-carboxamide
MW: 341.836 | Formula: C15H24ClN5O2
H donors: 2 H acceptors: 2 LogP: 1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC(C1)NC(=O)c1cc(Cl)c(nc1OC)N)C
InChi: 1S/C15H24ClN5O2/c1-4-21-6-5-20(2)8-10(9-21)18-14(22)11-7-12(16)13(17)19-15(11)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,19)(H,18,22)
InChiKey: NQAOXCXKUPNSLL-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

6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-pyridine-3-carboxamide
6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-3-pyridinecarboxamide
6-azanyl-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-pyridine-3-carboxamide
6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-nicotinamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 3 (5-HT3) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	465 aa	27.3 %
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	484 aa	26.0 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	24.7 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D2 receptor	444 aa	440 aa	30.0 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	489 aa	31.3 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	465 aa	27.3 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	Serotonin 3 (5-HT3) receptor	483 aa	394 aa	19.3 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	473 aa	27.5 %
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	Serotonin 3 (5-HT3) receptor	483 aa	387 aa	25.6 %
Drosophila melanogaster	nicotinic Acetylcholine Receptor alpha2	Serotonin 3 (5-HT3) receptor	483 aa	541 aa	25.5 %
Onchocerca volvulus	39S ribosomal protein L13, mitochondrial homolog	Serotonin 3 (5-HT3) receptor	483 aa	490 aa	31.0 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	23.9 %
Brugia malayi	Cation transporter family protein	Serotonin 3 (5-HT3) receptor	483 aa	507 aa	28.2 %
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	Serotonin 3 (5-HT3) receptor	483 aa	514 aa	23.2 %
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	26.8 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	452 aa	29.2 %
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	Serotonin 3 (5-HT3) receptor	483 aa	503 aa	22.3 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.7 %
Echinococcus multilocularis	nAChR subunit	Serotonin 3 (5-HT3) receptor	483 aa	495 aa	24.2 %
Onchocerca volvulus		Dopamine D2 receptor	444 aa	418 aa	23.0 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type des-2 homolog	Serotonin 3 (5-HT3) receptor	483 aa	464 aa	24.8 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.9 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Dopamine D2 receptor	444 aa	386 aa	19.7 %
Echinococcus multilocularis	g protein coupled receptor	Dopamine D2 receptor	444 aa	465 aa	21.5 %
Onchocerca volvulus	Putative zinc finger protein	Serotonin 3 (5-HT3) receptor	483 aa	489 aa	25.8 %
Schistosoma mansoni	amine GPCR	Dopamine D2 receptor	444 aa	424 aa	32.1 %
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.4 %
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	463 aa	26.8 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D2 receptor	444 aa	432 aa	30.8 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	477 aa	26.6 %
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	27.7 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Serotonin 3 (5-HT3) receptor	483 aa	478 aa	25.1 %
Echinococcus granulosus	g protein coupled receptor	Dopamine D2 receptor	444 aa	457 aa	21.0 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	461 aa	24.3 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Dopamine D2 receptor	444 aa	476 aa	24.2 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-3 precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	505 aa	21.2 %
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.6 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Serotonin 3 (5-HT3) receptor	483 aa	388 aa	21.9 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D2 receptor	444 aa	433 aa	21.2 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	25.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0015	0.066	1
Onchocerca volvulus		0.0015	0.066	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0273	0.4138
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.066	1
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.066	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0273	0.4138
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0273	0.4138
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0273	0.4138
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.066	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0273	0.4138
Brugia malayi	ecdysteroid receptor	0.0011	0.0273	0.4138
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0015	0.066	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0015	0.066	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0273	0.4138
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.066	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0273	0.4138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0273	0.4138
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0273	0.4138
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0273	0.4138
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0273	0.4138
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0273	0.4138
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0273	0.4138
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Wolbachia endosymbiont of Brugia malayi	dihydrodipicolinate synthase	0.0113	1	0.5
Onchocerca volvulus		0.0015	0.066	1
Mycobacterium ulcerans	dihydrodipicolinate synthase DapA	0.0113	1	0.5
Trichomonas vaginalis	dihydrodipicolinate synthase, putative	0.0113	1	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0015	0.066	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.066	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0273	0.4138
Brugia malayi	nuclear hormone receptor	0.0011	0.0273	0.4138
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0273	0.4138
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0273	0.4138
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0015	0.066	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0273	0.4138
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.066	1
Onchocerca volvulus		0.0015	0.066	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0273	0.4138
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.066	1
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0273	0.4138
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Brugia malayi	Cation transporter family protein	0.0015	0.066	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.066	1
Onchocerca volvulus		0.0015	0.066	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0273	0.4138
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0015	0.066	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0273	0.4138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0273	0.4138
Loa Loa (eye worm)	LGC-31 protein	0.0015	0.066	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0273	0.4138
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0273	0.4138
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0273	0.4138
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0273	0.4138
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0273	0.4138
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0273	0.4138
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0273	0.4138
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0273	0.4138
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0273	0.4138
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0273	0.4138
Brugia malayi	steroid hormone receptor	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0273	0.4138
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0273	0.4138
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0015	0.066	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.066	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.066	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.066	1
Toxoplasma gondii	dihydrodipicolinate synthase	0.0113	1	0.5
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0015	0.066	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.066	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0015	0.066	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0273	0.4138
Brugia malayi	excitatory GABA receptor EXP-1A	0.0015	0.066	1
Onchocerca volvulus		0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Entamoeba histolytica	hypothetical protein	0.0008	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0273	0.4138
Brugia malayi	Cation transporter family protein	0.0015	0.066	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0273	0.4138
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0015	0.066	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.066	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0015	0.066	1
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0273	0.4138
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0015	0.066	1
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.066	1
Mycobacterium tuberculosis	Probable dihydrodipicolinate synthase DapA (DHDPS) (dihydrodipicolinate synthetase)	0.0113	1	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0015	0.066	1
Onchocerca volvulus		0.0011	0.0273	0.4138
Onchocerca volvulus		0.0015	0.066	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0273	0.4138
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0273	0.4138
Brugia malayi	Cation transporter family protein	0.0015	0.066	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.066	1
Echinococcus granulosus	nAChR subunit	0.0015	0.066	1
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0273	0.4138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0273	0.4138
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0273	0.4138
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0015	0.066	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0273	0.4138
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0015	0.066	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0273	0.4138
Echinococcus multilocularis	nAChR subunit	0.0015	0.066	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0015	0.066	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0015	0.066	1
Onchocerca volvulus	Putative nachr subunit	0.0015	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.066	1
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.066	1
Mycobacterium ulcerans	dihydrodipicolinate synthase	0.0113	1	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0015	0.066	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0015	0.066	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0273	0.4138
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0273	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.4138
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.066	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.066	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0273	0.4138
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.066	1
Mycobacterium leprae	PROBABLE DIHYDRODIPICOLINATE SYNTHASE DAPA (DHDPS) (DIHYDRODIPICOLINATE SYNTHETASE)	0.0113	1	0.5
Schistosoma mansoni	nAChR subunit	0.0015	0.066	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.1 nM	Inhibition of [3H]- GR 65630 binding to rat cortical membrane 5-hydroxytryptamine 3 receptor	ChEMBL.	9873388
IC50 (binding)	= 5.1 nM	Inhibition of [3H]- GR 65630 binding to rat cortical membrane 5-hydroxytryptamine 3 receptor	ChEMBL.	9873388
IC50 (binding)	= 5.14 nM	Concentration required to inhibit the binding of radioligand [3H]-GR-65,630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain cortical membrane	ChEMBL.	12593651
IC50 (binding)	= 5.14 nM	Concentration required to inhibit the binding of radioligand [3H]-GR-65,630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain cortical membrane	ChEMBL.	12593651
IC50 (binding)	= 386 nM	Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2	ChEMBL.	9873388
IC50 (binding)	= 386 nM	Concentration of compound required to inhibit the binding of radioligand [3H]-spiperone to Dopamine receptor D2 in rat brain synaptic membrane.	ChEMBL.	12593651
IC50 (binding)	= 386 nM	Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2	ChEMBL.	9873388
IC50 (binding)	= 386 nM	Concentration of compound required to inhibit the binding of radioligand [3H]-spiperone to Dopamine receptor D2 in rat brain synaptic membrane.	ChEMBL.	12593651

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL290959
PubChem: 10860791

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 54658