Detailed information for compound 330546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.305 | Formula: C13H15N7O
  • H donors: 2 H acceptors: 4 LogP: -0.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nonc1c1nc2c(n1C1CCCNC1)ccnc2
  • InChi: 1S/C13H15N7O/c14-12-11(18-21-19-12)13-17-9-7-16-5-3-10(9)20(13)8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,19)
  • InChiKey: DBXWKNDVTAVTBK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis serine/threonine-protein kinase ypk, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis cAMP-dependent protein kinase catalytic subunit, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis serine/threonine-protein kinase, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Loa Loa (eye worm) AGC/RSK/MSK protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Babesia bovis cAMP-dependent protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437

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
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.7568 0.7568
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.7568 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.7568 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.7568 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.7568 0.7568
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Schistosoma mansoni thyroid hormone receptor 0.0036 0.7568 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.7568 0.7568
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.7568 1
Schistosoma mansoni thyroid hormone receptor 0.0036 0.7568 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.7568 0.7568
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.7568 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.7568 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.7568 1
Onchocerca volvulus 0.0036 0.7568 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.7568 1
Trichomonas vaginalis AGC family protein kinase 0.0042 1 1
Brugia malayi ecdysteroid receptor 0.0036 0.7568 0.7568
Echinococcus granulosus FTZ F1 alpha 0.0036 0.7568 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.7568 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.7568 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.7568 0.7568
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.7568 1
Brugia malayi nuclear receptor NHR-88 0.0036 0.7568 0.7568
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.7568 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.7568 0.7568
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.7568 0.7568
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.7568 0.7568
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.7568 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.7568 0.7568
Schistosoma mansoni coup transcription factor 0.0036 0.7568 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.7568 0.7568
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0041 0.9836 0.978
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.7568 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.7568 1
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.7568 0.7568
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.7568 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.7568 0.7568
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.7568 0.7568
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.7568 0.7568
Brugia malayi steroid hormone receptor 0.0036 0.7568 0.7568
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.7568 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.7568 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.7568 0.7568
Trichomonas vaginalis AGC family protein kinase 0.0042 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.7568 0.7568
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0042 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.7568 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.7568 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.7568 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.7568 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.7568 1
Trichomonas vaginalis AGC family protein kinase 0.0042 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.7568 1
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.7568 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.7568 0.7568
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.7568 0.5
Brugia malayi nuclear hormone receptor 0.0036 0.7568 0.7568
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.7568 0.7568
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.7568 1
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.7568 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.7568 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.7568 0.7568
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.7568 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.7568 0.7568
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.7568 0.7568

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibitory concentration against MSK-1 ChEMBL. 15955699
IC50 (binding) = 2 nM Inhibitory concentration against MSK-1 ChEMBL. 15955699
Inhibition (binding) = 33 Ratio of RSK-1 IC50 to MSK-1 IC50 ChEMBL. 15955699
Ratio (binding) = 17 Ratio of GSK-3 IC50 to MSK-1 IC50 ChEMBL. 15955699

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.