Detailed information for compound 187525

Basic information

Technical information
  • TDR Targets ID: 187525
  • Name: (1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-b enzimidazol-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)C1CCc2c(C1)[nH]cn2
  • 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)
  • InChiKey: NTHPAPBPFQJABD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-methyl-3-indolyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
  • ramosetron

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3C, ionotropic References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3D, ionotropic Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3B, ionotropic References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3E, ionotropic References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3A, ionotropic 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 3D, ionotropic 404 aa 445 aa 22.0 %
Brugia malayi Cation transporter family protein 5-hydroxytryptamine (serotonin) receptor 3A, ionotropic 484 aa 469 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.000089 mg kg-1 Effective dose causing reduction of serotonin effect at 5 min administered iv in Bezold-Jarisch reflex test ChEMBL. 8230119
ID50 (functional) = 0.0051 mg kg-1 Inhibitory dose causing inhibition of increase in thyrotropin-releasing hormone (TRH) induced defecation by sc administration at 1 mg/kg ChEMBL. 8230119
ID50 (functional) = 0.0052 mg kg-1 Inhibitory dose causing inhibition of restraint stress induced defecation by oral administration ChEMBL. 8230119
ID50 (functional) = 0.013 mg kg-1 Inhibitory dose causing inhibition of increase in 5-HT induced defecation by sc administration 1 to 10 mg/kg ChEMBL. 8230119
ID50 (functional) = 0.069 mg kg-1 Inhibition of wrap-restraint stress-induced colonic propulsion measured by the time required to expel a teflon balll inserted 3 cm into the rat colon ChEMBL. 8230119
ID50 (functional) = 1.1 mg kg-1 Inhibitory dose causing inhibition of increase in castor oil induced diarrhea by oral administration at 1 ml/rat ChEMBL. 8230119
Ki (binding) = 0.071 nM Binding affinity towards [3H]-quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 ChEMBL. 8230119
Ki (binding) = 0.071 nM Binding affinity towards [3H]-quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 ChEMBL. 8230119

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

Bibliographic References

1 literature reference was collected for this gene.

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