Detailed information for compound 206402

Basic information

Technical information
  • TDR Targets ID: 206402
  • Name: 3-[(2S,5R)-5-butyl-1-methylpyrrolidin-2-yl]py ridine
  • MW: 218.338 | Formula: C14H22N2
  • H donors: 0 H acceptors: 1 LogP: 3.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H]1CC[C@H](N1C)c1cccnc1
  • InChi: 1S/C14H22N2/c1-3-4-7-13-8-9-14(16(13)2)12-6-5-10-15-11-12/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3/t13-,14+/m1/s1
  • InChiKey: AJQBCKYPIGCEIM-KGLIPLIRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2S,5R)-5-butyl-1-methyl-pyrrolidin-2-yl]pyridine
  • 3-[(2S,5R)-5-butyl-1-methyl-2-pyrrolidinyl]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Neuronal acetylcholine 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 Neuronal acetylcholine receptor   452 aa 478 aa 29.7 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 458 aa 40.2 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 504 aa 36.7 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Neuronal acetylcholine receptor   452 aa 384 aa 41.1 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor   452 aa 370 aa 34.3 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Neuronal acetylcholine receptor   452 aa 441 aa 34.9 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 485 aa 34.8 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Neuronal acetylcholine receptor   452 aa 460 aa 38.9 %
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor   452 aa 459 aa 32.2 %
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor   452 aa 458 aa 33.0 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 497 aa 37.4 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 463 aa 34.8 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor   452 aa 493 aa 39.8 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Neuronal acetylcholine receptor   452 aa 473 aa 35.7 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor   452 aa 387 aa 31.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 471 aa 40.1 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Neuronal acetylcholine receptor   452 aa 497 aa 37.2 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 460 aa 38.7 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 372 aa 20.7 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 487 aa 33.7 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 471 aa 35.0 %
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor   452 aa 387 aa 31.8 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 462 aa 36.6 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 504 aa 40.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Neuronal acetylcholine receptor   452 aa 483 aa 21.9 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 495 aa 39.0 %
Onchocerca volvulus Putative zinc finger protein Neuronal acetylcholine receptor   452 aa 506 aa 38.1 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Neuronal acetylcholine receptor   452 aa 364 aa 27.7 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Neuronal acetylcholine receptor   452 aa 485 aa 34.2 %
Echinococcus multilocularis glycine receptor subunit alpha 1 Neuronal acetylcholine receptor   452 aa 377 aa 22.5 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor   452 aa 444 aa 33.3 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Neuronal acetylcholine receptor   452 aa 471 aa 35.9 %
Echinococcus multilocularis nAChR subunit Neuronal acetylcholine receptor   452 aa 467 aa 28.5 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Neuronal acetylcholine receptor   452 aa 373 aa 32.4 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 471 aa 40.1 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor   452 aa 458 aa 34.7 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 463 aa 34.8 %
Brugia malayi Cation transporter family protein Neuronal acetylcholine receptor   452 aa 472 aa 33.9 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 434 aa 34.3 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor   452 aa 476 aa 32.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Onchocerca volvulus 0.0091 0.3832 1
Echinococcus multilocularis hexokinase 0.0091 0.3832 0.3832
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0023 0.0189 0.0189
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0072 0.2803 0.2803
Onchocerca volvulus 0.0057 0.2026 0.5288
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0039 0.106 0.106
Onchocerca volvulus 0.0023 0.0189 0.0493
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0189 0.0189
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0072 0.2803 0.2803
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0044 0.1335 0.1335
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0023 0.0189 0.0189
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.052 0.052
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.052 0.052
Trichomonas vaginalis mercuric reductase, putative 0.0072 0.2803 1
Giardia lamblia DINP protein human, muc B family 0.0044 0.1335 0.4761
Echinococcus granulosus hexokinase 0.0091 0.3832 0.3832
Schistosoma mansoni DNA polymerase eta 0.0073 0.2884 0.2884
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0023 0.0189 0.0189
Trypanosoma cruzi trypanothione reductase, putative 0.0072 0.2803 0.2803
Plasmodium falciparum hexokinase 0.0091 0.3832 0.3832
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0072 0.2803 0.2803
Mycobacterium tuberculosis Probable oxidoreductase 0.0072 0.2803 0.2803
Loa Loa (eye worm) ACC-1 protein 0.0023 0.0189 0.0189
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0189 0.0189
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0072 0.2803 0.2803
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0.0189 0.0189
Trypanosoma cruzi trypanothione reductase, putative 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0072 0.2803 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0606 0.0606
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0072 0.2803 0.2803
Treponema pallidum NADH oxidase 0.0072 0.2803 0.7316
Loa Loa (eye worm) thioredoxin reductase 0.0207 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.052 0.052
Treponema pallidum hexokinase (hxk) 0.0091 0.3832 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Echinococcus multilocularis dna polymerase eta 0.0073 0.2884 0.2884
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0.0189 0.0189
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0023 0.0189 0.0189
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.1335 0.1335
Leishmania major hexokinase, putative 0.0091 0.3832 0.3832
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0189 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.1335 0.4761
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0023 0.0189 0.0189
Schistosoma mansoni hypothetical protein 0.0194 0.9294 0.9294
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0072 0.2803 0.2803
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0023 0.0189 0.0189
Leishmania major hypothetical protein, conserved 0.0029 0.052 0.052
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0072 0.2803 0.2803
Trypanosoma brucei DNA polymerase eta, putative 0.0073 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Toxoplasma gondii hexokinase 0.0091 0.3832 0.3832
Toxoplasma gondii thioredoxin reductase 0.0207 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.052 0.052
Echinococcus granulosus dna polymerase eta 0.0073 0.2884 0.2884
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0043 0.1265 0.1265
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2019 0.2019
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0189 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0.0189 0.0189
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Brugia malayi Cation transporter family protein 0.0023 0.0189 0.0189
Trypanosoma brucei unspecified product 0.0044 0.1335 0.1335
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0023 0.0189 0.0189
Entamoeba histolytica hexokinase 1 0.0091 0.3832 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0044 0.1335 0.1335
Echinococcus granulosus hexokinase 0.0091 0.3832 0.3832
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.1335 0.1335
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2019 0.2019
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Schistosoma mansoni hexokinase 0.0091 0.3832 0.3832
Echinococcus granulosus nAChR subunit 0.0023 0.0189 0.0189
Echinococcus multilocularis nAChR subunit 0.0023 0.0189 0.0189
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0053 0.179 0.179
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.052 0.052
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.1335 0.4761
Plasmodium falciparum glutathione reductase 0.0072 0.2803 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0072 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Brugia malayi hexokinase 0.0091 0.3832 0.3832
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0023 0.0189 0.0189
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0189 0.0189
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.1335 0.1335
Echinococcus multilocularis hexokinase type 2 0.0091 0.3832 0.3832
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0.0189 0.0189
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0527 0.0527
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0072 0.2803 0.2803
Plasmodium vivax thioredoxin reductase, putative 0.0207 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0044 0.1335 0.4761
Brugia malayi Hexokinase family protein 0.0028 0.0486 0.0486
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0.0189 0.0189
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0072 0.2803 1
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2019 0.2019
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0189 0.0189
Echinococcus multilocularis hexokinase 0.0091 0.3832 0.3832
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Loa Loa (eye worm) hexokinase 0.0091 0.3832 0.3832
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0072 0.2803 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0072 0.2803 0.2803
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0072 0.2803 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0072 0.2803 0.2803
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.1335 0.1335
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0044 0.1335 0.4761
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Echinococcus granulosus hexokinase type 2 0.0091 0.3832 0.3832
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0053 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0029 0.0527 0.0527
Leishmania major DNA polymerase eta, putative 0.0043 0.1265 0.1265
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0023 0.0189 0.0189
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Trypanosoma brucei unspecified product 0.003 0.0606 0.0606
Leishmania major hexokinase, putative 0.0091 0.3832 0.3832
Plasmodium vivax hexokinase, putative 0.0091 0.3832 0.3832
Echinococcus granulosus thioredoxin glutathione reductase 0.0207 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.052 0.052
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Plasmodium falciparum thioredoxin reductase 0.0072 0.2803 0.2803
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0.0189 0.0189
Plasmodium falciparum glutathione reductase 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2884 0.2884
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0.0189 0.0189
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0189 0.0189
Brugia malayi Thioredoxin reductase 0.0207 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0072 0.2803 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Toxoplasma gondii NADPH-glutathione reductase 0.0072 0.2803 0.2803
Loa Loa (eye worm) hexokinase 0.0028 0.0486 0.0486
Brugia malayi ImpB/MucB/SamB family protein 0.0073 0.2884 0.2884
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0189 0.0189
Onchocerca volvulus Hexokinase homolog 0.0057 0.2026 0.5288
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0062 0.2291 0.2291
Onchocerca volvulus 0.0023 0.0189 0.0493
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0044 0.1335 0.1335
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.1335 0.1335
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0072 0.2803 0.2803
Schistosoma mansoni hypothetical protein 0.0039 0.106 0.106
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0606 0.0606
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Leishmania major trypanothione reductase 0.0207 1 1
Onchocerca volvulus 0.0023 0.0189 0.0493
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.0189 0.0189
Schistosoma mansoni terminal deoxycytidyl transferase 0.0044 0.1335 0.1335
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hexokinase type II 0.0091 0.3832 0.3832
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0072 0.2803 1
Loa Loa (eye worm) LGC-31 protein 0.0023 0.0189 0.0189
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0072 0.2803 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0072 0.2803 0.2803
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) glutathione reductase 0.0207 1 1
Trypanosoma brucei hexokinase 0.0091 0.3832 0.3832
Brugia malayi Hexokinase family protein 0.0057 0.2026 0.2026
Echinococcus granulosus hexokinase 0.0091 0.3832 0.3832
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Plasmodium falciparum thioredoxin reductase 0.0207 1 1
Onchocerca volvulus Putative nachr subunit 0.0023 0.0189 0.0493
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0044 0.1335 0.1335
Trichomonas vaginalis glutathione reductase, putative 0.0072 0.2803 1
Trypanosoma cruzi hexokinase, putative 0.0091 0.3832 0.3832
Trypanosoma cruzi hexokinase, putative 0.0091 0.3832 0.3832
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0023 0.0189 0.0189
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.106 0.106
Loa Loa (eye worm) ACC-1 protein 0.0023 0.0189 0.0189
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0.0189 0.0189
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0189 0.0189
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0044 0.1335 0.1335
Onchocerca volvulus 0.0023 0.0189 0.0493
Loa Loa (eye worm) hexokinase 0.0091 0.3832 0.3832
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0072 0.2803 1
Echinococcus multilocularis geminin 0.0194 0.9294 0.9294
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0.0189 0.0189
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0072 0.2803 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0207 1 1
Onchocerca volvulus 0.0023 0.0189 0.0493
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0072 0.2803 1
Echinococcus granulosus dna polymerase kappa 0.0044 0.1335 0.1335
Onchocerca volvulus 0.0091 0.3832 1
Schistosoma mansoni nAChR subunit 0.0023 0.0189 0.0189
Leishmania major DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Echinococcus multilocularis hexokinase 0.0091 0.3832 0.3832
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Trypanosoma brucei unspecified product 0.003 0.0606 0.0606
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Brugia malayi Hexokinase family protein 0.0091 0.3832 0.3832
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0189 0.0189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0189 0.0189
Entamoeba histolytica deoxycytidyl transferase, putative 0.0044 0.1335 0.3483
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Echinococcus multilocularis dna polymerase kappa 0.0044 0.1335 0.1335
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0072 0.2803 0.2803
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0023 0.0189 0.0189
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0072 0.2803 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0072 0.2803 0.2803
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0.0189 0.0189
Trypanosoma brucei hexokinase 0.0091 0.3832 0.3832
Echinococcus granulosus geminin 0.0194 0.9294 0.9294
Brugia malayi hypothetical protein 0.0029 0.052 0.052
Loa Loa (eye worm) hexokinase 0.0057 0.2026 0.2026
Trypanosoma cruzi DNA polymerase eta, putative 0.0073 0.2884 0.2884
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0072 0.2803 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0606 0.0606
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0189 0.0189
Onchocerca volvulus 0.0023 0.0189 0.0493
Schistosoma mansoni hypothetical protein 0.0194 0.9294 0.9294
Plasmodium vivax glutathione reductase, putative 0.0207 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0189 0.0189
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.052 0.052
Onchocerca volvulus 0.0091 0.3832 1
Trypanosoma brucei trypanothione reductase 0.0207 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.0189 0.0189
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0072 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.1335 0.1335
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0044 0.1335 0.1335
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0023 0.0189 0.0189
Brugia malayi hexokinase type II 0.0029 0.0527 0.0527
Brugia malayi Cation transporter family protein 0.0023 0.0189 0.0189
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0189 0.0189
Trypanosoma brucei hexokinase, putative 0.0091 0.3832 0.3832
Brugia malayi Cation transporter family protein 0.0023 0.0189 0.0189
Entamoeba histolytica hexokinase 2 0.0091 0.3832 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.2019 0.2019
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.0189 0.0189
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.1265 0.1265
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0189 0.0189
Leishmania major DNA polymerase eta, putative 0.0073 0.2884 0.2884
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0072 0.2803 0.2803
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0023 0.0189 0.0189

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1381.4 nM Tested for the binding affinity against neuronal nicotinic acetylcholine receptors from whole rat brain ChEMBL. 7932582
Ki (binding) = 1381.4 nM Tested for the binding affinity against neuronal nicotinic acetylcholine receptors from whole rat brain ChEMBL. 7932582

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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