Detailed information for compound 15156

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 240.221 | Formula: C11H8N6O
  • H donors: 2 H acceptors: 6 LogP: 1.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(ncc1c1n[nH]nn1)c1ccccc1
  • InChi: 1S/C11H8N6O/c18-11-8(10-14-16-17-15-10)6-12-9(13-11)7-4-2-1-3-5-7/h1-6H,(H,12,13,18)(H,14,15,16,17)
  • InChiKey: DPBCDZSNXSBXIH-UHFFFAOYSA-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
Echinococcus multilocularis thymidine kinase 0.0784 0.8888 0.8888
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0024 0.0112 0.0128
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0175 0.2258
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0079 0.0875
Echinococcus multilocularis serine:threonine protein kinase N2 0.0024 0.0119 0.0119
Schistosoma mansoni serine/threonine-protein kinase 0.0052 0.0437 0.0407
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0119 0.0151
Loa Loa (eye worm) hypothetical protein 0.0029 0.0175 0.2453
Echinococcus multilocularis serine threonine protein kinase 0.0024 0.0119 0.0119
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0024 0.0119 0.0133
Echinococcus granulosus protein kinase c epsilon type 0.0024 0.0119 0.0133
Brugia malayi p70 ribosomal S6 kinase beta 0.0071 0.0659 0.9222
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Entamoeba histolytica PH domain containing protein kinase, putative 0.0052 0.0437 0.1357
Echinococcus granulosus lamin 0.0029 0.0175 0.0197
Schistosoma mansoni thyroid hormone receptor 0.0136 0.1408 0.1509
Echinococcus multilocularis protein kinase c iota type 0.0024 0.0119 0.0119
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0047 0.0377 0.0424
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.029 0.0799
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0119 0.0151
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.029 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0079 0.0079
Trypanosoma brucei rac serine-threonine kinase, putative 0.0076 0.0713 0.2611
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0024 0.0119 0.0119
Entamoeba histolytica thymidine kinase, putative 0.025 0.272 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.029 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Echinococcus multilocularis nervana 2 0.0047 0.0377 0.0377
Echinococcus multilocularis transfer RNA-Ile 0.0784 0.8888 0.8888
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0175 0.2453
Schistosoma mansoni hypothetical protein 0.0052 0.0434 0.0404
Entamoeba histolytica protein kinase, putative 0.0076 0.0713 0.2401
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0047 0.0383 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0024 0.0119 0.1663
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.029 0.0799
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.029 0.3912
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0079 0.0079
Echinococcus multilocularis thymidine kinase 0.0784 0.8888 0.8888
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0079 0.0089
Giardia lamblia Deoxynucleoside kinase 0.0376 0.4185 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.029 0.0799
Toxoplasma gondii AGC kinase 0.0071 0.0659 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.1291 0.1291
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0024 0.0119 0.0133
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.029 0.0799
Loa Loa (eye worm) AGC/AKT protein kinase 0.0076 0.0713 1
Entamoeba histolytica protein kinase, putative 0.0071 0.0659 0.2196
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Trypanosoma cruzi thymidine kinase, putative 0.025 0.272 1
Schistosoma mansoni lamin 0.0029 0.0175 0.0109
Echinococcus granulosus serine:threonine protein kinase N2 0.0024 0.0119 0.0133
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.029 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0047 0.0383 0.0383
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 0.0276
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0047 0.0383 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0052 0.0437 0.1357
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0079 0.0079
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.029 0.0514
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Echinococcus granulosus NDR protein kinase 0.0024 0.0119 0.0133
Echinococcus granulosus serine/threonine protein kinase 0.0052 0.0437 0.0492
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0052 0.0437 0.1357
Trichomonas vaginalis AGC family protein kinase 0.0029 0.0173 0.0355
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0024 0.0119 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.029 0.0326
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.029 0.0799
Echinococcus granulosus dna polymerase eta 0.0021 0.0079 0.0089
Brugia malayi intermediate filament protein 0.0029 0.0175 0.2258
Brugia malayi Protein kinase domain containing protein 0.0076 0.0713 1
Echinococcus multilocularis protein kinase c epsilon type 0.0024 0.0119 0.0119
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0047 0.0383 0.1153
Echinococcus multilocularis nervana 2 0.0047 0.0377 0.0377
Onchocerca volvulus 0.0029 0.0175 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 0.0276
Loa Loa (eye worm) AGC/PKN protein kinase 0.0024 0.0119 0.1663
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0047 0.0377 0.0377
Brugia malayi Protein kinase domain containing protein 0.0024 0.0119 0.1448
Trypanosoma cruzi thymidine kinase, putative 0.025 0.272 1
Echinococcus granulosus intermediate filament protein 0.0029 0.0175 0.0197
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0119 0.0151
Echinococcus granulosus thymidine kinase 0.0784 0.8888 1
Echinococcus granulosus protein kinase c iota type 0.0024 0.0119 0.0133
Brugia malayi Protein kinase domain containing protein 0.0024 0.0119 0.1448
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0784 0.8888 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0024 0.0119 0.0133
Echinococcus granulosus nervana 2 0.0047 0.0377 0.0424
Schistosoma mansoni lamin 0.0029 0.0175 0.0109
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0071 0.0659 0.9241
Loa Loa (eye worm) hypothetical protein 0.0029 0.0169 0.2366
Trypanosoma brucei thymidine kinase 0.025 0.272 1
Giardia lamblia Thymidine kinase 0.025 0.272 0.6432
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0047 0.0383 0.0431
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Onchocerca volvulus 0.0029 0.0175 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Echinococcus granulosus nervana 2 0.0047 0.0377 0.0424
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0119 0.0045
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0024 0.0119 0.0119
Schistosoma mansoni thyroid hormone receptor 0.0136 0.1408 0.1509
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0079 0.1105
Echinococcus multilocularis Glutaredoxin protein 5 0.0047 0.0377 0.0377
Echinococcus granulosus dna polymerase kappa 0.0021 0.0079 0.0089
Trypanosoma brucei unspecified product 0.0021 0.0079 0.0276
Schistosoma mansoni serine/threonine-protein kinase 0.0052 0.0437 0.0407
Trichomonas vaginalis thymidine kinase, putative 0.025 0.272 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0024 0.0119 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Echinococcus granulosus thymidine kinase 0.0784 0.8888 1
Entamoeba histolytica protein kinase 2, putative 0.0047 0.0383 0.1153
Echinococcus multilocularis serine:threonine protein kinase 38 0.0024 0.0119 0.0119
Echinococcus multilocularis musashi 0.0029 0.0175 0.0175
Brugia malayi Hr1 repeat family protein 0.0024 0.0119 0.1448
Schistosoma mansoni intermediate filament proteins 0.0029 0.0175 0.0109
Schistosoma mansoni hypothetical protein 0.0126 0.1291 0.1376
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.1291 0.1453
Echinococcus granulosus protein kinase C gamma type 0.0024 0.0119 0.0133
Brugia malayi protein kinase C II. 0.0024 0.0119 0.1448
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0024 0.0119 0.1663
Echinococcus multilocularis lamin 0.0029 0.0175 0.0175
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0079 0.0276
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 0.0276
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0024 0.0119 0.0133
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.029 0.5
Giardia lamblia Kinase, AGC PKA 0.0047 0.0383 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.1408 0.1408
Loa Loa (eye worm) AGC/NDR protein kinase 0.0024 0.0119 0.1663
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.029 0.1053
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0024 0.0119 0.1663
Schistosoma mansoni ap endonuclease 0.0039 0.029 0.024
Echinococcus multilocularis lamin dm0 0.0029 0.0175 0.0175
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.029 0.4066
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0024 0.0119 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Schistosoma mansoni atypical protein kinase C 0.0024 0.0119 0.0045
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Schistosoma mansoni ap endonuclease 0.0039 0.029 0.024
Trypanosoma cruzi Protein kinase B 0.0052 0.0437 0.1357
Leishmania major thymidine kinase, putative 0.025 0.272 1
Trichomonas vaginalis thymidine kinase, putative 0.025 0.272 1
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.029 0.0799
Schistosoma mansoni thymidine kinase 0.0784 0.8888 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0119 0.1663
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0018 0.0252
Trichomonas vaginalis thymidine kinase, putative 0.025 0.272 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0175 0.2453
Echinococcus granulosus Glutaredoxin protein 5 0.0047 0.0377 0.0424
Schistosoma mansoni serine/threonine kinase 0.0024 0.0119 0.0045
Echinococcus multilocularis rac serine:threonine kinase 0.0052 0.0437 0.0437
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0024 0.0119 0.1663
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.1105
Entamoeba histolytica protein kinase, putative 0.0024 0.0119 0.0151
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.029 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 0.0276
Entamoeba histolytica protein kinase, putative 0.0076 0.0713 0.2401
Echinococcus granulosus serine threonine protein kinase nrc 0.0047 0.0383 0.0431
Echinococcus granulosus lamin dm0 0.0029 0.0175 0.0197
Trichomonas vaginalis AGC family protein kinase 0.0076 0.0713 0.2401
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0079 0.0875

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 100 mg kg-1 Antiallergic activity in the passive cutaneous anaphylaxis(PCA) model in the rat was determined after oral administration ChEMBL. 7143350

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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