Detailed information for compound 516919

Basic information

Technical information
  • TDR Targets ID: 516919
  • Name: 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[ 1,2-a]indole-7-carboxamide
  • MW: 306.319 | Formula: C17H14N4O2
  • H donors: 2 H acceptors: 3 LogP: 1.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)n1CCNC(=O)c1c2)Nc1cccnc1
  • InChi: 1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
  • InChiKey: YMFJIJWPXNXALF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-oxo-N-(3-pyridyl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
  • 1-keto-N-(3-pyridyl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0119 0.5049 0.5049
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Entamoeba histolytica protein kinase, putative 0.0018 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0218 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0119 0.5049 0.5049
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0119 0.5049 0.5049
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Entamoeba histolytica protein kinase, putative 0.0018 0 0.5
Giardia lamblia Kinase, AGC AKT 0.0102 0.4207 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.5049 0.5049
Entamoeba histolytica protein kinase, putative 0.0018 0 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0218 1 1
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0102 0.4207 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0102 0.4207 0.4207
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0018 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Entamoeba histolytica protein kinase, putative 0.0018 0 0.5
Toxoplasma gondii AGC kinase 0.0018 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0218 1 1
Trichomonas vaginalis AGC family protein kinase 0.0018 0 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0218 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 730 nM Inhibition of RSK2 phosphorylation by luminescence assay ChEMBL. 22100312
IC50 (binding) = 1700 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646
IC50 (binding) = 1700 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646
IC50 (binding) > 10000 nM Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene ChEMBL. 22100312

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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