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  

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

Obtained from network model

Ranking Plot


Putative Targets List


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

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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