Detailed information for compound 1791727

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 252.268 | Formula: C15H12N2O2
  • H donors: 1 H acceptors: 0 LogP: 2.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)c1ccc(o1)c1ccco1
  • InChi: 1S/C15H12N2O2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9H,(H3,16,17)
  • InChiKey: QVXIOHAOIPVCMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi A-kinase anchor protein 10, precursor 0.0038 0.0769 0.0769
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0039 0.0794 0.0794
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0313 1
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0769 0.0769
Toxoplasma gondii exonuclease III APE 0.0021 0.0313 1
Echinococcus multilocularis tar DNA binding protein 0.0074 0.172 0.1916
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0345 0.8977 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.172 0.172
Brugia malayi MH2 domain containing protein 0.0139 0.3466 0.3466
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0383 1 1
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0769 0.0857
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0769 0.0857
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0769 0.0857
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0222 0.0222
Schistosoma mansoni ap endonuclease 0.0021 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Loa Loa (eye worm) TAR-binding protein 0.0074 0.172 0.172
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0345 0.8977 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Schistosoma mansoni tar DNA-binding protein 0.0074 0.172 0.172
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0769 0.0857
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0769 0.0857
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0769 0.0857
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0313 0.0348
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0313 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0769 0.0857
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0769 0.0857
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0769 0.0769
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0313 0.0313
Schistosoma mansoni z-protein (S1r protein) 0.0038 0.0769 0.0769
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0038 0.0769 0.0857
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0313 1
Brugia malayi RNA binding protein 0.0074 0.172 0.172
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0038 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0222 0.0247
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0222 0.0247
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.172 0.172
Loa Loa (eye worm) PXA domain-containing protein 0.0038 0.0769 0.0769
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0769 0.0769
Schistosoma mansoni tar DNA-binding protein 0.0074 0.172 0.172
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.3466 0.3466
Echinococcus multilocularis regulator of G protein signaling 0.0038 0.0769 0.0857
Brugia malayi PXA domain containing protein 0.0038 0.0769 0.0769
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0222 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0074 0.172 0.172
Schistosoma mansoni tar DNA-binding protein 0.0074 0.172 0.172
Echinococcus multilocularis beta adrenergic receptor kinase 0.0039 0.0794 0.0885
Echinococcus granulosus Regulator of G protein signaling 20 0.0038 0.0769 0.0857
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0222 0.0247
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0222 0.0247
Brugia malayi PXA domain containing protein 0.0038 0.0769 0.0769
Brugia malayi TAR-binding protein 0.0074 0.172 0.172
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0769 0.0857
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0769 0.0857
Brugia malayi regulator of G-protein signaling egl-10 0.0038 0.0769 0.0769
Brugia malayi hypothetical protein 0.0038 0.0769 0.0769
Echinococcus granulosus beta-adrenergic receptor kinase 0.0039 0.0794 0.0885
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0769 0.0769
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.3466 0.3466
Schistosoma mansoni serine/threonine protein kinase 0.0383 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0313 0.5
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0038 0.0769 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0345 0.8977 0.8977
Brugia malayi isocitrate dehydrogenase 0.0018 0.0222 0.0222
Loa Loa (eye worm) RNA binding protein 0.0074 0.172 0.172
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0769 0.0769
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0769 0.0857
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0769 0.0857
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0313 0.5
Echinococcus multilocularis Regulator of G protein signaling 20 0.0038 0.0769 0.0857
Brugia malayi regulator of G-protein signaling rgs-7 0.0038 0.0769 0.0769
Schistosoma mansoni ap endonuclease 0.0021 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0038 0.0769 0.0769
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0769 0.0769
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0038 0.0769 0.0769
Loa Loa (eye worm) RGS-3 protein 0.0038 0.0769 0.0769
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0313 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0313 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0345 0.8977 0.8977
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0769 0.0769
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0313 0.0313
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0313 0.0348
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0345 0.8977 0.8977
Entamoeba histolytica hypothetical protein 0.0038 0.0769 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0313 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0313 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0794 0.0794
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0222 0.0247
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0769 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0769 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0222 0.0247
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0769 0.0769
Echinococcus granulosus tar DNA binding protein 0.0074 0.172 0.1916
Echinococcus granulosus expressed protein 0.0038 0.0769 0.0857
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0794 0.0794
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0038 0.0769 0.0857
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0313 1
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0769 0.0769
Entamoeba histolytica hypothetical protein 0.0038 0.0769 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0313 1
Echinococcus multilocularis expressed protein 0.0038 0.0769 0.0857
Schistosoma mansoni tar DNA-binding protein 0.0074 0.172 0.172
Brugia malayi hypothetical protein 0.0038 0.0769 0.0769
Entamoeba histolytica hypothetical protein 0.0038 0.0769 1

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Induction of Bos taurus (bovine) serum albumin degradation after 1 hr by SDS-PAGE analysis ChEMBL. No reference
IZ (functional) = 6 mm Antimicrobial activity against Escherichia coli at 100 ug after 24 hr by cup diffusion technique ChEMBL. No reference
IZ (functional) = 11 mm Antimicrobial activity against Saccharomyces cerevisiae at 100 ug after 24 hr by cup diffusion technique ChEMBL. No reference
MIC (functional) = 15 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae after 24 hr by CLSI liquid dilution method ChEMBL. No reference
MIC (functional) = 20 ug ml-1 Antimicrobial activity against Escherichia coli after 24 hr by CLSI liquid dilution method ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.