Detailed information for compound 1686196

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 217.224 | Formula: C11H11N3O2
  • H donors: 0 H acceptors: 1 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C(=C/c1ccccc1)/CN=[N+]=[N-]
  • InChi: 1S/C11H11N3O2/c1-16-11(15)10(8-13-14-12)7-9-5-3-2-4-6-9/h2-7H,8H2,1H3/b10-7+
  • InChiKey: ZWGNAOMCZZYZQE-JXMROGBWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0038 0.1191 0.4694
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0126 1
Echinococcus multilocularis geminin 0.019 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0063 0.0653
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1547 0.1547
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1547 0.1547
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0516 1
Onchocerca volvulus 0.0027 0.0516 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2538 0.2538
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0032 0.0125
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1547 0.6097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1547 0.1547
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0498
Loa Loa (eye worm) hypothetical protein 0.0056 0.2218 0.8738
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0516 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0032 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0516 1
Schistosoma mansoni ap endonuclease 0.0018 0.0032 0.0032
Loa Loa (eye worm) TAR-binding protein 0.0061 0.2538 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0516 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.2538 0.2538
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0516 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1547 0.1547
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1547 0.6097
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2538 0.2538
Loa Loa (eye worm) RNA binding protein 0.0061 0.2538 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0516 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0516 0.2035
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0126 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0032 0.0032
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0126 0.1952
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0516 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0516 0.2035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.2218 0.8738
Brugia malayi TAR-binding protein 0.0061 0.2538 1
Schistosoma mansoni hypothetical protein 0.019 1 1
Schistosoma mansoni hypothetical protein 0.019 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0516 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0516 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0516 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0498
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0038 0.1191 0.1191
Echinococcus multilocularis tar DNA binding protein 0.0061 0.2538 0.2538
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0516 1
Schistosoma mansoni ap endonuclease 0.0018 0.0032 0.0032
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0516 0.2035
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2538 0.2538
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1547 0.1547
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0498
Brugia malayi RNA binding protein 0.0061 0.2538 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1547 0.1547
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0032 0.0125
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0516 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0516 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0516 0.2035
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0498
Loa Loa (eye worm) hypothetical protein 0.0027 0.0516 0.2035
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0516 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0063 0.0653
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2538 0.2538
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0126 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0516 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0516 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0126 0.0498
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.2538 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0516 0.2035
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0063 0.0653
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0063 0.0653
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0516 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.2218 0.8738
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0126 0.1952
Toxoplasma gondii exonuclease III APE 0.0018 0.0032 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.2218 0.8738
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.2538 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0032 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0032 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2538 0.2538
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0032 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0516 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0032 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0032 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1191 0.4694
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0032 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1547 0.1547

Activities

No activities found for this compound.

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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