Detailed information for compound 1096283

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.297 | Formula: C15H14N4O2
  • H donors: 2 H acceptors: 3 LogP: 1.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1nn(c2c1c(=O)[nH]c(c2)c1ccccc1)C
  • InChi: 1S/C15H14N4O2/c1-9(20)16-14-13-12(19(2)18-14)8-11(17-15(13)21)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,21)(H,16,18,20)
  • InChiKey: GKYGHUXOLPTNID-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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Leishmania major DNA polymerase eta, putative 0.0032 0.5618 0.4775
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.2177 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Brugia malayi hypothetical protein 0.0026 0.4037 0.3031
Echinococcus granulosus dna polymerase kappa 0.0019 0.2177 0.2177
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2177 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.2177 0.5
Leishmania major DNA polymerase eta, putative 0.0045 0.9383 1
Echinococcus granulosus dna polymerase eta 0.0045 0.9383 0.9383
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.2177 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Trypanosoma brucei unspecified product 0.0019 0.2177 0.1904
Loa Loa (eye worm) hypothetical protein 0.0045 0.9383 0.9211
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2177 0.1904
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.4037 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.5618 1
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.9383 0.9279
Giardia lamblia DINP protein human, muc B family 0.0019 0.2177 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.2177 0.2177
Loa Loa (eye worm) hypothetical protein 0.0026 0.4037 0.2378
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.5618 0.4775
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.2177 0.2177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.9383 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.2177 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.2177 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.4037 0.2581
Schistosoma mansoni DNA polymerase eta 0.0045 0.9383 0.9383
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.9383 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.4037 0.2581
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.2177 0.1904
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.2177 0.2177
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.4037 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.2177 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.2177 0.0858
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.2177 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.2177 0.2177
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.2177 0.1904
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.4037 0.3993
Echinococcus multilocularis dna polymerase kappa 0.0019 0.2177 0.2177
Leishmania major hypothetical protein, conserved 0.0026 0.4037 0.2581
Echinococcus multilocularis dna polymerase eta 0.0045 0.9383 0.9383
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.4037 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = -9 % Inhibition of AKT1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 2 % Inhibition of AurA at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 2 % Inhibition of ERK2 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 3 % Inhibition of PRAK1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 3 % Inhibition of ERK1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 3 % Inhibition of MSK1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 4 % Inhibition of RSK1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 4 % Inhibition of CHK1 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 4 % Inhibition of CHK2 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 5 % Inhibition of INSR at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 5 % Inhibition of p38alpha at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 8 % Inhibition of LCK at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 9 % Inhibition of MAPKAPK2 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 9 % Inhibition of PKD2 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 10 % Inhibition of ABL at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 12 % Inhibition of SRC at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 13 % Inhibition of LYN at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 16 % Inhibition of MET at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 17 % Inhibition of CK1d at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 17 % Inhibition of GSK3B at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 21 % Inhibition of FYN at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 28 % Inhibition of PKCz at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449
Inhibition (binding) = 40 % Inhibition of AKT2 at 30 uM by microfluidic mobility shift assay ChEMBL. 21536449

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

1 literature reference was collected for this gene.

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