Detailed information for compound 169845

Basic information

Technical information
  • TDR Targets ID: 169845
  • Name: (NZ)-N-(1-azabicyclo[2.2.2]octan-3-ylidene)hy droxylamine chloride
  • MW: 175.636 | Formula: C7H12ClN2O-
  • H donors: 1 H acceptors: 1 LogP: 1.4 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\CN2CCC1CC2.[Cl-]
  • InChi: 1S/C7H12N2O.ClH/c10-8-7-5-9-3-1-6(7)2-4-9;/h6,10H,1-5H2;1H/p-1/b8-7+;
  • InChiKey: CSKIUBQPEHEMAN-USRGLUTNSA-M  


Substructure search Similarity search

Network

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Synonyms

  • quinuclidin-3-one oxime chloride
  • 3-quinuclidinone oxime chloride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni survival motor neuron protein 0.0052 0.012 0.0636
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0004 0.0183
Schistosoma mansoni hypothetical protein 0.0164 0.0621 0.3282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0324 0.1712
Loa Loa (eye worm) hypothetical protein 0.0448 0.1893 0.6096
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0165 0.0546
Plasmodium vivax hypothetical protein, conserved 0.0214 0.0849 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0165 0.087
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0073 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0105 0.0347
Chlamydia trachomatis protoporphyrinogen oxidase 0.0214 0.0849 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0159 0.0602 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0075 0.0224 1
Echinococcus granulosus Niemann Pick C1 protein 0.0066 0.0183 0.0965
Schistosoma mansoni patched 1 0.0066 0.0183 0.0965
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0448 0.1893 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0105 0.0337
Echinococcus multilocularis sterol regulatory element binding protein 0.0066 0.0183 0.0965
Trypanosoma cruzi UDP-galactopyranose mutase 0.0214 0.0849 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0165 0.087
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0448 0.1893 1
Schistosoma mansoni ap endonuclease 0.0041 0.0073 0.0383
Schistosoma mansoni ap endonuclease 0.0041 0.0073 0.0383
Echinococcus granulosus lysine specific histone demethylase 1A 0.0448 0.1893 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0165 0.053
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0073 0.3247
Loa Loa (eye worm) hypothetical protein 0.0048 0.0105 0.0337
Echinococcus multilocularis protein dispatched 1 0.0066 0.0183 0.0965
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0214 0.0849 0.0782
Trypanosoma cruzi UDP-galactopyranose mutase 0.0214 0.0849 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0075 0.0224 1
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0073 0.3247
Toxoplasma gondii histone lysine-specific demethylase 0.0214 0.0849 1
Schistosoma mansoni hypothetical protein 0.0052 0.012 0.0636
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0004 0.0183
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0031 0.0364
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0324 0.1712
Mycobacterium ulcerans dehydrogenase 0.0214 0.0849 0.0782
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0075 0.0224 1
Brugia malayi RNA binding protein 0.0062 0.0165 0.0546
Brugia malayi CHE-14 protein 0.0066 0.0183 0.0606
Brugia malayi hypothetical protein 0.0214 0.0849 0.2815
Entamoeba histolytica hypothetical protein 0.0026 0.0004 0.0563
Schistosoma mansoni hypothetical protein 0.0338 0.1403 0.741
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0165 0.087
Loa Loa (eye worm) RNA binding protein 0.0062 0.0165 0.053
Onchocerca volvulus 0.0473 0.2004 0.631
Schistosoma mansoni hypothetical protein 0.0164 0.0621 0.3282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0324 0.1712
Plasmodium falciparum protoporphyrinogen oxidase 0.0214 0.0849 1
Schistosoma mansoni amine oxidase 0.0214 0.0849 0.4483
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0183 0.8169
Brugia malayi Importin beta-1 subunit 0.0032 0.0031 0.0102
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0165 0.087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0324 0.1712
Echinococcus multilocularis geminin 0.0164 0.0621 0.3282
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0004 0.0183
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.012 0.0399
Mycobacterium ulcerans oxidoreductase 0.0214 0.0849 0.0782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0105 0.0347
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0214 0.0849 0.5
Echinococcus multilocularis snurportin 1 0.0338 0.1403 0.741
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0036 0.0121
Loa Loa (eye worm) hypothetical protein 0.0214 0.0849 0.2733
Echinococcus granulosus Protein patched homolog 1 0.0066 0.0183 0.0965
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0324 0.1712
Schistosoma mansoni importin beta-1 0.0032 0.0031 0.0163
Echinococcus granulosus tar DNA binding protein 0.0062 0.0165 0.087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0324 0.1712
Echinococcus granulosus importin subunit beta 1 0.0032 0.0031 0.0163
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0073 0.0234
Plasmodium vivax hypothetical protein, conserved 0.0214 0.0849 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0073 0.051
Echinococcus multilocularis protein patched 0.0066 0.0183 0.0965
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0073 0.073
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0165 0.053
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0324 0.1044
Leishmania major UDP-galactopyranose mutase 0.0214 0.0849 1
Toxoplasma gondii exonuclease III APE 0.0041 0.0073 0.0855
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0324 0.1075
Brugia malayi RNA, U transporter 1 0.009 0.0292 0.097
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0214 0.0849 0.2733
Brugia malayi TAR-binding protein 0.0062 0.0165 0.0546
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0073 0.0812
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0031 0.0163
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0117
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0073 0.0383
Brugia malayi Myb-like DNA-binding domain containing protein 0.0699 0.3015 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0602 0.1939
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0159 0.0602 0.7083
Echinococcus granulosus geminin 0.0164 0.0621 0.3282
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0073 0.0241
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0159 0.0602 0.1998
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0324 0.1712
Brugia malayi amine oxidase, flavin-containing family protein 0.0239 0.096 0.3183
Echinococcus multilocularis 0.0214 0.0849 0.4483
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0214 0.0849 1
Brugia malayi hypothetical protein 0.0253 0.1023 0.3393
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0159 0.0602 0.0534
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0214 0.0849 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0159 0.0602 0.3181
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.1023 0.5403
Loa Loa (eye worm) hypothetical protein 0.0032 0.0031 0.0099
Loa Loa (eye worm) hypothetical protein 0.0253 0.1023 0.3293
Echinococcus multilocularis protoporphyrinogen oxidase 0.0214 0.0849 0.4483
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0159 0.0602 0.3181
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.226 1 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0075 0.0224 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0214 0.0849 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0073 0.051
Echinococcus multilocularis Niemann Pick C1 protein 0.0066 0.0183 0.0965
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.1023 0.5403
Echinococcus granulosus snurportin 1 0.0338 0.1403 0.741
Schistosoma mansoni hypothetical protein 0.0033 0.0036 0.0192
Loa Loa (eye worm) hypothetical protein 0.0448 0.1893 0.6096
Echinococcus granulosus lysine specific histone demethylase 1A 0.0214 0.0849 0.4483
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0066 0.0183 0.0965
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0214 0.0849 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0214 0.0849 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0073 0.0812
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0073 0.3247
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0073 0.0812
Loa Loa (eye worm) hypothetical protein 0.0473 0.2004 0.6453
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2045 0.904 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0159 0.0602 0.7083
Onchocerca volvulus CoRest homolog 0.0719 0.3106 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0338 0.1403 0.4517
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0073 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0073 0.0383
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0165 0.087
Brugia malayi SWIRM domain containing protein 0.0473 0.2004 0.6648
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0165 0.087
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0159 0.0602 0.7083
Loa Loa (eye worm) hypothetical protein 0.0699 0.3015 0.9706
Schistosoma mansoni amine oxidase 0.0214 0.0849 0.4483
Mycobacterium tuberculosis Possible oxidoreductase 0.0214 0.0849 0.0865
Loa Loa (eye worm) hypothetical protein 0.0066 0.0183 0.0588
Loa Loa (eye worm) hypothetical protein 0.0719 0.3106 1
Echinococcus granulosus sterol regulatory element binding protein 0.0066 0.0183 0.0965
Mycobacterium ulcerans monoamine oxidase 0.0214 0.0849 0.0782
Loa Loa (eye worm) hypothetical protein 0.0239 0.096 0.309
Mycobacterium tuberculosis Conserved hypothetical protein 0.0214 0.0849 0.0865
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0159 0.0602 0.3181
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0214 0.0849 0.4483
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0066 0.0183 0.0588

Activities

Activity type Activity value Assay description Source Reference
Contraction (functional) 0 % Agonism of Muscarinic acetylcholine receptor M3 was determined as maximal contraction rate of isolated guinea pig ileum ChEMBL. 15149637
Relaxation (functional) 0 % Agonism of endothelin A receptor was determined as maximal rate of vascular endothelium-dependent relaxation at the concentration of 10E-5 M/L; - = no activity ChEMBL. 15149637

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

Bibliographic References

1 literature reference was collected for this gene.

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