TDR Targets

Basic information

Technical information

TDR Targets ID: 1489257
Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro -3H-benzimidazol-5-yl]methanone
MW: 279.336 | Formula: C17H17N3O
H donors: 1 H acceptors: 2 LogP: 2.21 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cn(c2c1cccc2)C)[C@@H]1CCc2c(C1)nc[nH]2
InChi: 1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
InChiKey: NTHPAPBPFQJABD-LLVKDONJSA-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

(1-methyl-3-indolyl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
132036-88-5
(-)-(R)-1-Methylindol-3-yl-4,5,6,7-tetrahydro-5-benzimidazolyl ketone.
Nor-YM 060
Ramosetron
Ramosetron [INN]

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 3A, ionotropic	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
Brugia malayi	Cation transporter family protein	5-hydroxytryptamine (serotonin) receptor 3A, ionotropic	484 aa	469 aa	28.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	lozenge	0.0052	0.0092	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3799	0.983	0.983
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0447	0.1118	0.1118
Plasmodium falciparum	phosphoglucomutase-2	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1649	0.4242	0.4169
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0072	0.0145	0.0116
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0072	0.0145	0.0116
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0072	0.0145	0.0145
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Mycobacterium tuberculosis	Conserved protein	0.0065	0.0126	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0065	0.0126	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0072	0.0145	0.0116
Onchocerca volvulus	Protein UBASH3A homolog	0.0065	0.0126	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Onchocerca volvulus	Putative nachr subunit	0.0072	0.0145	0.013
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.0075	0.0046
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0072	0.0145	0.0116
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Onchocerca volvulus		0.0065	0.0126	0.0112
Brugia malayi	hypothetical protein	0.0028	0.0029	0.013
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Schistosoma mansoni	neurotransmitter gated ion channel	0.0045	0.0073	0.0044
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0045	0.0073	0.0526
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Brugia malayi	phosphoglycerate mutase family protein	0.0065	0.0126	0.1012
Onchocerca volvulus	Protein UBASH3A homolog	0.0065	0.0126	0.0112
Onchocerca volvulus		0.0072	0.0145	0.013
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0072	0.0145	0.118
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0045	0.0075	0.0544
Loa Loa (eye worm)	runx1	0.0052	0.0092	0.0092
Schistosoma mansoni	phosphoglycerate mutase	0.0065	0.0126	0.0098
Brugia malayi	excitatory GABA receptor EXP-1A	0.0072	0.0145	0.118
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0065	0.0126	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3864	1	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0072	0.0145	0.0145
Mycobacterium ulcerans	hypothetical protein	0.0065	0.0126	0.0215
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0073	0.0526
Echinococcus multilocularis	glycine receptor subunit beta	0.0072	0.0145	0.0116
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0072	0.0145	0.0145
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.0015	0.0025
Plasmodium vivax	phosphoglycerate mutase, putative	0.0065	0.0126	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0072	0.0145	0.118
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.228	0.5884	1
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0065	0.0126	0.0215
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0022	0.0015	0.0025
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3864	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0073	0.0526
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0072	0.0145	0.0116
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0072	0.0145	0.0116
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3864	1	1
Onchocerca volvulus		0.0072	0.0145	0.013
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0029	0.013
Leishmania major	hypothetical protein, conserved	0.0065	0.0126	0.0112
Mycobacterium ulcerans	hydrolase MutT1	0.0065	0.0126	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0045	0.0073	0.0044
Loa Loa (eye worm)	hypothetical protein	0.3864	1	1
Onchocerca volvulus		0.0416	0.1038	0.1025
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0065	0.0126	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0065	0.0126	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0068	0.004
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0045	0.0075	0.0127
Mycobacterium leprae	conserved hypothetical protein	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.3799	0.983	0.983
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Echinococcus granulosus	glycine receptor subunit beta	0.0072	0.0145	0.0116
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1649	0.4242	0.4169
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0048	0.0082	0.6461
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Onchocerca volvulus		0.0072	0.0145	0.013
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0015	0.0015
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0082	0.0139
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0028	0.0029	0.013
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Onchocerca volvulus		0.0028	0.0029	0.0014
Mycobacterium leprae	conserved hypothetical protein	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0065	0.0126	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0028	0.0029	0.0029
Echinococcus granulosus	phosphoglycerate mutase	0.0065	0.0126	0.0098
Loa Loa (eye worm)	ACC-1 protein	0.0072	0.0145	0.0145
Brugia malayi	hypothetical protein	0.0028	0.0029	0.013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.0015	0.0025
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0065	0.0126	0.0112
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0065	0.0126	1
Onchocerca volvulus		0.0065	0.0126	0.0112
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0072	0.0145	0.0116
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3799	0.983	0.9828
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Brugia malayi	Cation transporter family protein	0.0072	0.0145	0.118
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Leishmania major	glycerolphosphate mutase, putative	0.0065	0.0126	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Onchocerca volvulus	Protein UBASH3A homolog	0.0065	0.0126	0.0112
Mycobacterium ulcerans	hypothetical protein	0.228	0.5884	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0065	0.0126	0.0098
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0072	0.0145	0.0145
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1649	0.4242	0.4169
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Onchocerca volvulus		0.0072	0.0145	0.013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.0015	0.0025
Onchocerca volvulus		0.0028	0.0029	0.0014
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.2215	0.5715	0.5715
Brugia malayi	hypothetical protein	0.0028	0.0029	0.013
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0082	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0015	0.0015
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0065	0.0126	1
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Treponema pallidum	phosphoglyceromutase	0.0065	0.0126	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0022	0.0015	0.0025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0082	0.0139
Echinococcus granulosus	phosphoglycerate mutase	0.0065	0.0126	0.0098
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0065	0.0126	0.019
Trichomonas vaginalis	glucosylceramidase, putative	0.0447	0.1118	1
Echinococcus multilocularis	nAChR subunit	0.0072	0.0145	0.0116
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0043	0.0068	0.0068
Schistosoma mansoni	phosphoglycerate mutase	0.0065	0.0126	0.0098
Mycobacterium ulcerans	phosphoglycerate mutase	0.0065	0.0126	0.0215
Toxoplasma gondii	phosphoglycerate mutase	0.0065	0.0126	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0072	0.0145	0.0116
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0022	0.0015	0.0025
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0065	0.0126	0.019
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0065	0.0126	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0309	0.076	0.6387
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0065	0.0126	1
Leishmania major	phosphoglycerate mutase protein, putative	0.0065	0.0126	0.0112
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0072	0.0145	0.0116
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0065	0.0126	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.228	0.5884	1
Echinococcus granulosus	nAChR subunit	0.0072	0.0145	0.0116
Schistosoma mansoni	6-phosphofructokinase	0.3864	1	1
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0065	0.0126	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0068	0.004
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0082	0.0053
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3799	0.983	0.9828
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0068	0.004
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0072	0.0145	0.0116
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0072	0.0145	0.0116
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0072	0.0145	0.0116
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Brugia malayi	UBASH3A protein homolog	0.0065	0.0126	0.1012
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1649	0.4242	0.4234
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0043	0.0068	0.0487
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0072	0.0145	0.118
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0072	0.0145	0.118
Onchocerca volvulus		0.0028	0.0029	0.0014
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0045	0.0075	0.0127
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Mycobacterium tuberculosis	Conserved protein	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0082	0.0053
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3799	0.983	0.9828
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0068	0.004
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0068	0.004
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0072	0.0145	0.118
Echinococcus granulosus	phosphoglycerate mutase	0.0065	0.0126	0.0098
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0072	0.0145	0.118
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Entamoeba histolytica	hypothetical protein	0.0045	0.0073	0.0099
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0028	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0416	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Onchocerca volvulus		0.0065	0.0126	0.0112
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.0075	0.0046
Echinococcus multilocularis	glycine receptor subunit beta	0.0072	0.0145	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3864	1	1
Loa Loa (eye worm)	ACC-1 protein	0.0072	0.0145	0.0145
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0045	0.0075	0.006
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0042	0.0067	0.0067
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Mycobacterium leprae	probable isochorismate synthase EntC	0.0065	0.0126	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0065	0.0126	1
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0065	0.0126	0.0098
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0072	0.0145	0.0116
Onchocerca volvulus		0.3864	1	1
Leishmania major	hypothetical protein, conserved	0.0065	0.0126	0.0112
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0065	0.0126	0.019
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3864	1	1
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0126	0.0126
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0072	0.0145	0.0116
Mycobacterium leprae	conserved hypothetical protein	0.0065	0.0126	1
Leishmania major	hypothetical protein, conserved	0.0065	0.0126	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Mycobacterium ulcerans	phosphoglyceromutase	0.0065	0.0126	0.0215
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0028	0.0029	0.013
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0065	0.0126	0.0098
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0065	0.0126	0.0098
Leishmania major	hypothetical protein, unknown function	0.0065	0.0126	0.0112
Echinococcus multilocularis	phosphoglycerate mutase	0.0065	0.0126	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0029	0.013
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0065	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0126	0.0126
Mycobacterium ulcerans	hypothetical protein	0.0065	0.0126	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Trichomonas vaginalis	glucosylceramidase, putative	0.0309	0.076	0.6387
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Brugia malayi	Cation transporter family protein	0.0072	0.0145	0.118
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0072	0.0145	0.0116
Plasmodium vivax	phosphoglucomutase-2, putative	0.0065	0.0126	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0072	0.0145	0.0116
Echinococcus multilocularis	Protein lozenge	0.0052	0.0092	0.0064
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0072	0.0145	0.0116
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0028	0.0029	0.013
Brugia malayi	hypothetical protein	0.0416	0.1038	0.9274
Mycobacterium ulcerans	hypothetical protein	0.0022	0.0015	0.0025
Leishmania major	phosphoglycerate mutase, putative	0.0065	0.0126	0.0112
Onchocerca volvulus		0.0072	0.0145	0.013
Schistosoma mansoni	nAChR subunit	0.0072	0.0145	0.0116
Mycobacterium ulcerans	acid phosphatase	0.0065	0.0126	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Onchocerca volvulus		0.0045	0.0073	0.0058
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0048	0.0082	0.0067
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0072	0.0145	0.0145
Echinococcus multilocularis	nAChR subunit	0.0045	0.0073	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Echinococcus granulosus	nAChR subunit	0.0045	0.0073	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Onchocerca volvulus		0.0072	0.0145	0.013
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0022	0.0015	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0126	0.0126
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0072	0.0145	0.0145
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0072	0.0145	0.0116
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0072	0.0145	0.118
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0022	0.0015	0.1159
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0029
Loa Loa (eye worm)	LGC-31 protein	0.0072	0.0145	0.0145
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0068	0.004
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0072	0.0145	0.118
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0073	0.0044
Brugia malayi	hypothetical protein	0.0028	0.0029	0.013
Giardia lamblia	Hypothetical protein	0.228	0.5884	0.5
Loa Loa (eye worm)	GABA receptor subunit	0.0045	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0416	0.1038	0.1038
Onchocerca volvulus		0.0045	0.0073	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0015	0.0015
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0065	0.0126	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0048	0.0082	0.0053
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0072	0.0145	0.0116
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0029	0.013
Brugia malayi	Cation transporter family protein	0.0072	0.0145	0.118
Loa Loa (eye worm)	acetylcholine receptor protein	0.0028	0.0029	0.0029
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Onchocerca volvulus	Glucosylceramidase homolog	0.0293	0.0719	0.0705
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0065	0.0126	0.0112
Mycobacterium ulcerans	phosphoglycerate mutase	0.0065	0.0126	0.0215
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0065	0.0126	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0075	0.5915
Loa Loa (eye worm)	phosphoglycerate mutase	0.0065	0.0126	0.0126
Echinococcus granulosus	glycine receptor subunit beta	0.0072	0.0145	0.0116
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0065	0.0126	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0072	0.0145	0.0116
Echinococcus granulosus	phosphoglycerate mutase	0.0065	0.0126	0.0098
Giardia lamblia	Hypothetical protein	0.228	0.5884	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0072	0.0145	0.0116
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0072	0.0145	0.118
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0072	0.0145	0.118
Brugia malayi	hypothetical protein	0.0028	0.0029	0.013
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0447	0.1118	1
Brugia malayi	phosphoglycerate mutase family protein	0.0065	0.0126	0.1012
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0045	0.0075	0.0046
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0045	0.0073	0.0526
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0022	0.0015	0.0025
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0072	0.0145	0.118
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0145
Echinococcus granulosus	phosphoglycerate mutase	0.0065	0.0126	0.0098
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0065	0.0126	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0126	0.0098
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0072	0.0145	0.0116
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0719	0.5974
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0073	0.0073
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0048	0.0082	0.0053
Onchocerca volvulus	Protein UBASH3A homolog	0.0065	0.0126	0.0112
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0068	0.004
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0065	0.0126	0.0215
Mycobacterium ulcerans	lipoprotein LpqD	0.0065	0.0126	0.0215

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		TP_TRANSPORTER: uptake in LLC-PK1 cell and LLC-GA5-COL300 cells	ChEMBL.	12195819
Activity (functional)		TP_TRANSPORTER: uptake, not inhibited by Verapamil in MBEC4 cell	ChEMBL.	12195819
Activity (functional)		TP_TRANSPORTER: uptake in L cell and LV500 cell	ChEMBL.	12195819
Activity (functional)	= -1 %	Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells at 3 uM relative to 5HT	ChEMBL.	21146988
Activity (functional)	= -1 %	Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as decrease in 100 uM 5-chloroindole-induced increase in intracellular calcium release at 3 uM relative to 5-HT	ChEMBL.	21146988
Ki (binding)	= 0.06 nM	Binding affinity to human 5HT3A receptor	ChEMBL.	21146988
Ki (binding)	= 0.06 nM	BindingDB_Patents: Radioligand Binding Assay. The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. Test compounds were dissolved to 10 mM in 100% DMSO, then serially diluted at 10x assay concentrations in 100% DMSO in 96-well polypropylene plates and further diluted to 4x assay concentrations with the assay buffer. Samples were incubated in 50 mM Tris-HCl, pH 7.5, 3 mM MgCl2, 1 mM EDTA and 10% DMSO with 10 nM [9-methyl-3H]BRL-43694 (Perkin Elmer), 3 ug of human 5-HT3 receptor membranes (Perkin Elmer) and 0.5 mg/mL SPA beads (WGA PVT, Amersham Biosciences) in a final volume of 0.2 mL. Binding reactions were set up in wells of PicoPlates-96 (Perkin Elmer) by adding consecutively 50 uL of each competing compound or buffer, SPA beads, the radioligand and 5-HT3 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm.	ChEMBL.	No reference
Ki (binding)	= 0.06 nM	BindingDB_Patents: Radioligand Binding Assay. The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. Test compounds were dissolved to 10 mM in 100% DMSO, then serially diluted at 10x assay concentrations in 100% DMSO in 96-well polypropylene plates and further diluted to 4x assay concentrations with the assay buffer. Samples were incubated in 50 mM Tris-HCl, pH 7.5, 3 mM MgCl2, 1 mM EDTA and 10% DMSO with 10 nM [9-methyl-3H]BRL-43694 (Perkin Elmer), 3 ug of human 5-HT3 receptor membranes (Perkin Elmer) and 0.5 mg/mL SPA beads (WGA PVT, Amersham Biosciences) in a final volume of 0.2 mL. Binding reactions were set up in wells of PicoPlates-96 (Perkin Elmer) by adding consecutively 50 uL of each competing compound or buffer, SPA beads, the radioligand and 5-HT3 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm.	ChEMBL.	No reference

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: CHEMBL1643895

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1489257