Detailed information for compound 1003701

Basic information

Technical information
  • TDR Targets ID: 1003701
  • Name: (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)- piperidin-1-ylmethanone
  • MW: 212.206 | Formula: C8H12N4O3
  • H donors: 1 H acceptors: 3 LogP: 0.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(N)no[n+]1[O-])N1CCCCC1
  • InChi: 1S/C8H12N4O3/c9-7-6(12(14)15-10-7)8(13)11-4-2-1-3-5-11/h1-5H2,(H2,9,10)
  • InChiKey: UACJGTZOVFVRCY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-(1-piperidyl)methanone
  • (4-amino-2-oxido-furazan-2-ium-3-yl)-piperidino-methanone
  • (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-yl-methanone
  • Oprea1_790421
  • (4-Amino-2-oxy-furazan-3-yl)-piperidin-1-yl-methanone
  • BAS 02287968
  • ZINC00371792

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
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0116 0.0341
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0004 0.0017 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2004 0.1993
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0017 0.0454
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Echinococcus multilocularis synaptojanin 1 0.0004 0.0017 0.0003
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0014 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Brugia malayi CXXC zinc finger family protein 0.0028 0.0544 0.1764
Loa Loa (eye worm) hypothetical protein 0.0004 0.0017 0.0011
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0384 0.0371
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0014 0.0002
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0004 0.0017 0.0003
Loa Loa (eye worm) RNA binding protein 0.0142 0.3019 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2004 0.6623
Brugia malayi RNA recognition motif domain containing protein 0.0142 0.3019 1
Schistosoma mansoni nocturnin 0.0004 0.0017 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3019 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0384 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0004 0.0017 0.0003
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0014 0.0002
Toxoplasma gondii exonuclease III APE 0.0021 0.0384 0.3392
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0014 0.0002
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Onchocerca volvulus 0.0028 0.0544 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0116 0.0102
Schistosoma mansoni cript-related 0.0004 0.0017 0.0013
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.0017 0.0011
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.0017 0.0003
Echinococcus multilocularis cpg binding protein 0.003 0.0579 0.0566
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0014 0.0002
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.0017 0.0011
Echinococcus multilocularis neuropeptide receptor A26 0.0463 1 1
Schistosoma mansoni synaptojanin 0.0004 0.0017 0.0013
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.0017 0.0011
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0014 0.0002
Echinococcus multilocularis neuropeptide s receptor 0.0463 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0384 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3019 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3019 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0384 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0014 0.0365
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0079 0.0065
Echinococcus granulosus traf and tnf receptor associated protein 0.0004 0.0017 0.0003
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0004 0.0014 0.0365
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0114 0.0332
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0017 0.0092
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2004 0.6623
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.0017 0.0003
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0384 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0014 0.0365
Loa Loa (eye worm) TAR-binding protein 0.0142 0.3019 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0017 0.0011
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0004 0.0017 0.0454
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0384 0.1231
Schistosoma mansoni cpg binding protein 0.003 0.0579 0.1883
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2004 0.1993
Echinococcus granulosus neuropeptide receptor A26 0.0463 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0079 0.0065
Trichomonas vaginalis Phospholipase C precursor, putative 0.0004 0.0017 0.0454
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.0017 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2004 0.6623
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Brugia malayi CCR4 0.0004 0.0017 0.0011
Loa Loa (eye worm) hypothetical protein 0.0004 0.0017 0.0011
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0004 0.0017 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2004 0.1993
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0004 0.0017 0.0013
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0004 0.0017 0.0092
Loa Loa (eye worm) hypothetical protein 0.0004 0.0017 0.0011
Brugia malayi RNA binding protein 0.0142 0.3019 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Trichomonas vaginalis helicase, putative 0.0006 0.0065 0.1694
Echinococcus granulosus neutral sphingomyelinase 0.0004 0.0017 0.0003
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0142 0.3019 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0004 0.0017 0.0454
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0384 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Schistosoma mansoni cpg binding protein 0.0028 0.0544 0.1765
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2004 0.1993
Schistosoma mansoni carbon catabolite repressor protein 0.0004 0.0017 0.0013
Onchocerca volvulus 0.0004 0.0017 0.0064
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0384 1
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0004 0.0014 0.0365
Brugia malayi TAR-binding protein 0.0142 0.3019 1
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0004 0.0017 0.0454
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0079 0.0065
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0116 0.0102
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0384 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0065 0.1694
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0004 0.0017 0.0092
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0384 1
Schistosoma mansoni synaptojanin 0.0004 0.0017 0.0013
Schistosoma mansoni ap endonuclease 0.0021 0.0384 0.1233
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0384 0.0371
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Echinococcus multilocularis deoxyribonuclease 1 2 0.0004 0.0017 0.0003
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0004 0.0017 0.0011
Schistosoma mansoni cpg binding protein 0.003 0.0579 0.1883
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0014 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0017 0.0454
Onchocerca volvulus 0.0004 0.0017 0.0064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.2004 0.6622
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0384 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0004 0.0017 0.0003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0079 0.0065
Schistosoma mansoni hypothetical protein 0.0004 0.0017 0.0013
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0384 0.1231
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0004 0.0017 0.0454
Schistosoma mansoni neutral sphingomyelinase 0.0004 0.0017 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3019 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.3019 1
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0014 0.0002
Echinococcus granulosus synaptojanin 1 0.0004 0.0017 0.0003
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0014 0.0365
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0004 0.0014 0.0365
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0004 0.0014 0.0002
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0004 0.0017 0.0003
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0384 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.0017 0.0454
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0004 0.0014 0.0002
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0384 0.5
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0017 0.0092
Schistosoma mansoni ap endonuclease 0.0021 0.0384 0.1233
Echinococcus multilocularis neutral sphingomyelinase 0.0004 0.0017 0.0003
Onchocerca volvulus Putative neutral sphingomyelinase 0.0004 0.0017 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.2004 0.6622
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0065 0.1694
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0014 0.0002
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0384 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0065 0.1694
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0014 0.0002
Echinococcus multilocularis tar DNA binding protein 0.0142 0.3019 0.3009
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0544 0.1764
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0017 0.0092
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0014 0.0365
Echinococcus granulosus cpg binding protein 0.003 0.0579 0.0566
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0065 0.1694
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0014 0.0002
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0004 0.0017 0.0454
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1098 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0384 0.5
Echinococcus granulosus tar DNA binding protein 0.0142 0.3019 0.3009
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.0017 0.0011
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0384 1
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0004 0.0014 0.0365
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1239 0.4076
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0079 0.0216
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.0017 0.0011

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 17 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 assessed as inhibition of growth of epimastigotes at 25 uM after 5 days by MTT assay relative to control ChEMBL. 18706821

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

No literature references available for this target.

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