Detailed information for compound 158916

Basic information

Technical information
  • TDR Targets ID: 158916
  • Name: 6-[(E)-hydrazinylidenemethyl]-2-oxo-5-pyridin -4-yl-1H-pyridine-3-carbonitrile
  • MW: 239.233 | Formula: C12H9N5O
  • H donors: 2 H acceptors: 4 LogP: 1.38 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N/N=C/c1nc(O)c(cc1c1ccncc1)C#N
  • InChi: 1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,7H,14H2,(H,17,18)/b16-7+
  • InChiKey: KJRKRHGTENMKAI-FRKPEAEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(E)-hydrazonomethyl]-2-oxo-5-(4-pyridyl)-1H-pyridine-3-carbonitrile
  • 6-[(E)-hydrazonomethyl]-2-keto-5-(4-pyridyl)-1H-pyridine-3-carbonitrile
  • 3-cyano-5-(4-pyridyl)-6-hydrazonomethyl-2-pyridone
  • 6-methanehydrazonoyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
  • 6-methanehydrazonoyl-2-oxo-5-(4-pyridyl)-1H-pyridine-3-carbonitrile
  • 6-formohydrazonoyl-2-keto-5-(4-pyridyl)-1H-pyridine-3-carbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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 PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Loa Loa (eye worm) hexokinase 0.0267 0.2915 0.2915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus granulosus hexokinase 0.0862 1 1
Entamoeba histolytica hexokinase 2 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1044 0.1044
Trypanosoma brucei hexokinase 0.0862 1 1
Plasmodium vivax hexokinase, putative 0.0862 1 0.5
Trypanosoma brucei hexokinase, putative 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Toxoplasma gondii hexokinase 0.0862 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0274 0.3002 0.3002
Onchocerca volvulus 0.0862 1 1
Loa Loa (eye worm) hexokinase 0.0862 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0276 0.0276
Loa Loa (eye worm) hexokinase 0.0862 1 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 0.3469 0.3469
Leishmania major hexokinase, putative 0.0862 1 1
Brugia malayi Hexokinase family protein 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Onchocerca volvulus 0.0862 1 1
Loa Loa (eye worm) hexokinase 0.0541 0.6177 0.6177
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0276 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus multilocularis hexokinase type 2 0.0862 1 1
Onchocerca volvulus 0.0862 1 1
Schistosoma mansoni hexokinase 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0276 0.0276
Echinococcus granulosus hexokinase 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus multilocularis hexokinase 0.0862 1 1
Giardia lamblia GTOR 0.0022 0 0.5
Trypanosoma brucei hexokinase 0.0862 1 1
Echinococcus multilocularis hexokinase 0.0862 1 1
Loa Loa (eye worm) hexokinase type II 0.0862 1 1
Trypanosoma cruzi hexokinase, putative 0.0862 1 1
Echinococcus granulosus hexokinase 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Plasmodium falciparum hexokinase 0.0862 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Brugia malayi hexokinase type II 0.0274 0.3002 0.3002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Leishmania major hexokinase, putative 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Leishmania major hypothetical protein, conserved 0.0114 0.1094 0.1094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0274 0.3002 0.3002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Brugia malayi Hexokinase family protein 0.0541 0.6177 0.6177
Brugia malayi Hexokinase family protein 0.0267 0.2915 0.2915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trypanosoma cruzi hexokinase, putative 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0588 0.6738 0.6738
Treponema pallidum hexokinase (hxk) 0.0862 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0276 0.0276
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0313 0.3469 0.3469
Entamoeba histolytica hexokinase 1 0.0862 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0276 0.0276
Echinococcus granulosus hexokinase type 2 0.0862 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0276 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0276 0.0276
Echinococcus multilocularis hexokinase 0.0862 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 uM Competitive inhibition of DNA-PK ChEMBL. 22835870
IC50 (binding) = 100 uM Inhibition of DNA-dependent protein kinase (DNA-PK) of HeLa cell nuclear cell extract ChEMBL. 11597411
IC50 (binding) = 100 uM Inhibition of DNA-dependent protein kinase (DNA-PK) of HeLa cell nuclear cell extract ChEMBL. 11597411
IC50 (binding) = 100 uM Inhibition of DNA-PK ChEMBL. 22835870

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

2 literature references were collected for this gene.

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