TDR Targets

Basic information

Technical information

TDR Targets ID: 335315
Name: [3-methyl-2-(4-methylpiperazin-1-yl)quinolin- 4-yl]-pyrrolidin-1-ylmethanone
MW: 338.447 | Formula: C20H26N4O
H donors: 0 H acceptors: 2 LogP: 2.77 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1nc2ccccc2c(c1C)C(=O)N1CCCC1
InChi: 1S/C20H26N4O/c1-15-18(20(25)24-9-5-6-10-24)16-7-3-4-8-17(16)21-19(15)23-13-11-22(2)12-14-23/h3-4,7-8H,5-6,9-14H2,1-2H3
InChiKey: OSGKTFURMVRNOJ-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

[3-methyl-2-(4-methylpiperazin-1-yl)-4-quinolyl]-pyrrolidin-1-yl-methanone
[3-methyl-2-(4-methyl-1-piperazinyl)-4-quinolyl]-(1-pyrrolidinyl)methanone
[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-pyrrolidin-1-yl-methanone
[3-methyl-2-(4-methylpiperazino)-4-quinolyl]-pyrrolidino-methanone
[3-methyl-2-(4-methyl-1-piperazinyl)-4-quinolyl]-1-pyrrolidinylmethanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-3 precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	505 aa	21.2 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	25.1 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	452 aa	29.2 %
Onchocerca volvulus	39S ribosomal protein L13, mitochondrial homolog	Serotonin 3 (5-HT3) receptor	483 aa	490 aa	31.0 %
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	27.7 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	477 aa	26.6 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Serotonin 3 (5-HT3) receptor	483 aa	478 aa	25.1 %
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	Serotonin 3 (5-HT3) receptor	483 aa	387 aa	25.6 %
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	484 aa	26.0 %
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	Serotonin 3 (5-HT3) receptor	483 aa	503 aa	22.3 %
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.6 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	24.7 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	461 aa	24.3 %
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.9 %
Echinococcus multilocularis	nAChR subunit	Serotonin 3 (5-HT3) receptor	483 aa	495 aa	24.2 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	465 aa	27.3 %
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.4 %
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	Serotonin 3 (5-HT3) receptor	483 aa	514 aa	23.2 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	Serotonin 3 (5-HT3) receptor	483 aa	394 aa	19.3 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type des-2 homolog	Serotonin 3 (5-HT3) receptor	483 aa	464 aa	24.8 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	473 aa	27.5 %
Brugia malayi	Cation transporter family protein	Serotonin 3 (5-HT3) receptor	483 aa	507 aa	28.2 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	489 aa	31.3 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.7 %
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	26.8 %
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	463 aa	26.8 %
Onchocerca volvulus	Putative zinc finger protein	Serotonin 3 (5-HT3) receptor	483 aa	489 aa	25.8 %
Drosophila melanogaster	nicotinic Acetylcholine Receptor alpha2	Serotonin 3 (5-HT3) receptor	483 aa	541 aa	25.5 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	23.9 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Serotonin 3 (5-HT3) receptor	483 aa	388 aa	21.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0193	0.017
Brugia malayi	MH1 domain containing protein	0.0008	0.0051	0.0046
Brugia malayi	hypothetical protein	0.0007	0.0039	0.0034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0529	0.0493
Schistosoma mansoni	cpg binding protein	0.0028	0.0313	0.0313
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0015	0.0145	0.014
Brugia malayi	Cation transporter family protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0248	0.3201	0.3099
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0015	0.0145	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1466	0.1462
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0145	0.0145
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0193	0.0155
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0149	0.0111
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0038	0.0038
Brugia malayi	Smad1	0.0008	0.0051	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0193	0.0155
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.0145	0.0107
Schistosoma mansoni	nAChR subunit	0.0007	0.0039	0.0039
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0337	0.4369	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0007	0.0039	0.0034
Schistosoma mansoni	smad	0.0008	0.0051	0.0051
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0061	0.0022
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0145	0.014
Echinococcus multilocularis	dihydrofolate reductase	0.0767	1	1
Echinococcus multilocularis	nAChR subunit	0.0008	0.0054	0.0016
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0007	0.0039	0.0039
Giardia lamblia	DNA repair protein RAD52	0.0337	0.4369	1
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0015	0.0145	0.0107
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0193	0.0188
Echinococcus multilocularis	nAChR subunit	0.0015	0.0145	0.0107
Brugia malayi	hypothetical protein	0.0118	0.1495	0.1491
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0008	0.0054	0.0054
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0061	0.0022
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0008	0.0054	0.0049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0193	0.039
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Brugia malayi	hypothetical protein	0.0007	0.0039	0.0034
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.0145	0.0107
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0149	0.0111
Echinococcus multilocularis	Smad4	0.0008	0.0051	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0193	0.0193
Onchocerca volvulus		0.0248	0.3201	1
Echinococcus multilocularis	microtubule associated protein 2	0.067	0.8725	0.872
Loa Loa (eye worm)	thymidylate synthase	0.0248	0.3201	0.3198
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0145	0.014
Echinococcus granulosus	dihydrofolate reductase	0.0767	1	1
Onchocerca volvulus		0.0028	0.0313	0.0867
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0149	0.0159
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0149	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1077	0.1073
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0604	0.7864	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0015	0.0145	0.014
Brugia malayi	hypothetical protein	0.0007	0.0039	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Schistosoma mansoni	neurotransmitter gated ion channel	0.0007	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0015	0.0145	0.014
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0015	0.0145	0.014
Echinococcus granulosus	cpg binding protein	0.0029	0.0334	0.0297
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0149	0.0144
Chlamydia trachomatis	dihydrofolate reductase	0.0767	1	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0015	0.0145	0.0107
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0015	0.0145	0.014
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0193	0.0216
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0193	0.0193
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0051	0.0046
Entamoeba histolytica	hypothetical protein	0.0096	0.1206	0.2669
Brugia malayi	MH2 domain containing protein	0.0116	0.1466	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.0145	0.0107
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0193	0.017
Trypanosoma brucei	unspecified product	0.0013	0.0117	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.1495	1
Onchocerca volvulus		0.0015	0.0145	0.0336
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0015	0.0145	0.014
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0015	0.0145	0.014
Echinococcus granulosus	nAChR subunit	0.0008	0.0054	0.0016
Echinococcus granulosus	Smad4	0.0008	0.0051	0.0013
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0529	0.0493
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0193	0.0155
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0193	0.0216
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0051	0.0051
Brugia malayi	hypothetical protein	0.0007	0.0039	0.0034
Entamoeba histolytica	protein kinase, putative	0.0087	0.1083	0.2384
Loa Loa (eye worm)	LGC-31 protein	0.0015	0.0145	0.014
Mycobacterium tuberculosis	Hypothetical protein	0.0118	0.1495	0.1367
Brugia malayi	MH1 domain containing protein	0.0008	0.0051	0.0046
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0051	0.0046
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.1083	0.1351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0529	0.0529
Loa Loa (eye worm)	GABA receptor subunit	0.0008	0.0054	0.0049
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0193	0.0045
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0015	0.0145	0.0107
Loa Loa (eye worm)	dihydrofolate reductase	0.0767	1	1
Trypanosoma brucei	unspecified product	0.0013	0.0117	0.0119
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0193	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0007	0.0039	0.0034
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1466	0.1462
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Onchocerca volvulus		0.0015	0.0145	0.0336
Entamoeba histolytica	hypothetical protein	0.0087	0.1083	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Brugia malayi	MH2 domain containing protein	0.0008	0.0051	0.0046
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0149	0.0111
Leishmania major	DNA polymerase eta, putative	0.0019	0.0193	0.0216
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Onchocerca volvulus		0.0015	0.0145	0.0336
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0193	0.0193
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0015	0.0145	0.0145
Schistosoma mansoni	DNA polymerase IV / kappa	0.0006	0.0024	0.0024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Schistosoma mansoni	neurotransmitter gated ion channel	0.0008	0.0054	0.0054
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0604	0.7864	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0193	0.0216
Brugia malayi	Cation transporter family protein	0.0015	0.0145	0.014
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0015	0.0145	0.0107
Onchocerca volvulus		0.0015	0.0145	0.0336
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0059	0.0054
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0051	0.0013
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.0149	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Echinococcus multilocularis	thymidylate synthase	0.0248	0.3201	0.3175
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0767	1	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0008	0.0054	0.0049
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.008	0.0998	0.2188
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.1083	0.2384
Echinococcus multilocularis	glycine receptor subunit beta	0.0015	0.0145	0.0107
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0015	0.0145	0.014
Onchocerca volvulus		0.0008	0.0054	0.0048
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Echinococcus granulosus	dna polymerase eta	0.0019	0.0193	0.0155
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0008	0.0054	0.0049
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0015	0.0145	0.014
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0313	0.0308
Brugia malayi	Dihydrofolate reductase	0.0767	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0529	0.0525
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.0145	0.0107
Schistosoma mansoni	Smad4	0.0008	0.0051	0.0051
Mycobacterium ulcerans	thymidylate synthase	0.0248	0.3201	0.3185
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0008	0.0054	0.0054
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0193	0.0216
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.1083	0.1351
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0149	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1077	0.1073
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.0149	0.0159
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0149	0.0159
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0193	0.0045
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0015	0.0145	0.0107
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0007	0.0039	0.0034
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0015	0.0145	0.0107
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0529	0.0493
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0015	0.0145	0.0107
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0061	0.0056
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0117	0.0119
Schistosoma mansoni	acetylcholine receptor-related	0.0007	0.0039	0.0039
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0313	0.0308
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0007	0.0039	0.0034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Echinococcus multilocularis	dual specificity	0.0087	0.1083	0.1048
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0015	0.0145	0.0107
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0193	0.0155
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0015	0.0145	0.0107
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0096	0.1206	0.2669
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0149	0.0144
Echinococcus granulosus	dual specificity	0.0087	0.1083	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Brugia malayi	hypothetical protein	0.0007	0.0039	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Echinococcus granulosus	smad	0.0008	0.0051	0.0013
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0008	0.0054	0.0049
Brugia malayi	MH2 domain containing protein	0.0008	0.0051	0.0046
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0118	0.1495	0.1877
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0117	0.0119
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0193	0.1111
Brugia malayi	polk-prov protein	0.0006	0.0024	0.0019
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0149	0.0159
Echinococcus granulosus	thymidylate synthase	0.0248	0.3201	0.3175
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0193	0.0216
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0015	0.0145	0.0107
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.008	0.0998	0.2188
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0015	0.0145	0.0107
Schistosoma mansoni	neurotransmitter gated ion channel	0.0007	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0604	0.7864	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0051	0.0051
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0015	0.0145	0.014
Brugia malayi	Protein kinase domain containing protein	0.0087	0.1083	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0007	0.0039	0.0034
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0051	0.0013
Schistosoma mansoni	cpg binding protein	0.0029	0.0334	0.0334
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0193	0.0188
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0722	0.0722
Schistosoma mansoni	nAChR subunit	0.0007	0.0039	0.0039
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0149	0.0159
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0604	0.7864	1
Schistosoma mansoni	dihydrofolate reductase	0.0767	1	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0087	0.1083	0.1078
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.0145	0.014
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0145	0.0145
Schistosoma mansoni	microtubule-associated protein tau	0.067	0.8725	0.8725
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0015	0.0145	0.014
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0015	0.0145	0.014
Onchocerca volvulus	Putative nachr subunit	0.0015	0.0145	0.0336
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0529	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0015	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Onchocerca volvulus		0.0015	0.0145	0.0336
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0015	0.0145	0.014
Onchocerca volvulus		0.0008	0.0054	0.0048
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0051	0.0013
Brugia malayi	excitatory GABA receptor EXP-1A	0.0015	0.0145	0.014
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0193	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0193	0.0188
Echinococcus multilocularis	cpg binding protein	0.0029	0.0334	0.0297
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0087	0.1083	0.1351
Brugia malayi	Cation transporter family protein	0.0015	0.0145	0.014
Echinococcus granulosus	microtubule associated protein 2	0.067	0.8725	0.872
Entamoeba histolytica	protein kinase, putative	0.0087	0.1083	0.2384
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0051	0.0013
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0193	0.0188
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0007	0.0039	0.0034
Loa Loa (eye worm)	hypothetical protein	0.008	0.0998	0.0994
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.064	0.0785
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0015	0.0145	0.0145
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0149	0.0111
Loa Loa (eye worm)	acetylcholine receptor protein	0.0007	0.0039	0.0034
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0015	0.0145	0.0107
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Loa Loa (eye worm)	ACC-1 protein	0.0015	0.0145	0.014
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0149	0.0159
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0193	0.0155
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0051	0.0051
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0054	0.0049
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0087	0.1083	0.1351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0529	0.0529
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0015	0.0145	0.014
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0149	0.0159
Onchocerca volvulus		0.0015	0.0145	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Trypanosoma brucei	unspecified product	0.0019	0.0193	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0117	0.0119
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0604	0.7864	1
Schistosoma mansoni	nAChR subunit	0.0015	0.0145	0.0145
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0193	0.0216
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0149	0.0111
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0767	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0529	0.0525
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0604	0.7864	1
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0149	0.0144
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0015	0.0145	0.0107
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0248	0.3201	0.3201
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0007	0.0039	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0193	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0007	0.0039	0.0034
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.1083	0.1083
Schistosoma mansoni	cpg binding protein	0.0029	0.0334	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0024	0.0019
Echinococcus granulosus	glycine receptor subunit beta	0.0015	0.0145	0.0107
Brugia malayi	thymidylate synthase	0.0248	0.3201	0.3198
Echinococcus granulosus	nAChR subunit	0.0015	0.0145	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0039	0.0034
Loa Loa (eye worm)	Smad1	0.0008	0.0051	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0145	0.014
Echinococcus multilocularis	smad	0.0008	0.0051	0.0013
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0015	0.0145	0.0145

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.6 nM	Displacement of [3H]-granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane	ChEMBL.	15887964
Ki (binding)	= 1.6 nM	Displacement of [3H]-granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane	ChEMBL.	15887964

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

PubChem: 11416481

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 335315