Detailed information for compound 2156266

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.185 | Formula: C24H23N5O2
  • H donors: 0 H acceptors: 2 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: CN1CCN(CC1)c1ccc2n(n1)c(c1ccccc1)c(n2)c1cccc2c1OCO2
  • InChi: InChI=1S/C24H23N5O2/c1-27-12-14-28(15-13-27)21-11-10-20-25-22(18-8-5-9-19-24(18)31-16-30-19)23(29(20)26-21)17-6-3-2-4-7-17/h2-11H,12-16H2,1H3
  • InChiKey: UUFIIKREBUVIMW-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 receptor-interacting serine-threonine kinase 3 References
Homo sapiens cyclin-dependent kinase 5, regulatory subunit 1 (p35) References
Homo sapiens germ cell associated 2 (haspin) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum Cyclin-dependent kinase 5 activator 2 precursor, putative Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma mansoni cyclin-dependent kinase 5 activator Get druggable targets OG5_133447 All targets in OG5_133447
Echinococcus granulosus serine:threonine protein kinase haspin Get druggable targets OG5_130553 All targets in OG5_130553
Echinococcus multilocularis serine:threonine protein kinase haspin Get druggable targets OG5_130553 All targets in OG5_130553
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Echinococcus granulosus serine:threonine protein kinase haspin Get druggable targets OG5_130553 All targets in OG5_130553
Brugia malayi GSG2 Get druggable targets OG5_130553 All targets in OG5_130553
Brugia malayi hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Loa Loa (eye worm) haspin protein kinase Get druggable targets OG5_130553 All targets in OG5_130553
Brugia malayi hypothetical protein Get druggable targets OG5_130553 All targets in OG5_130553
Echinococcus granulosus cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum ko:K08286 protein-serine/threonine kinase [EC2.7.11.-], putative Get druggable targets OG5_130553 All targets in OG5_130553
Echinococcus granulosus serine:threonine protein kinase haspin Get druggable targets OG5_130553 All targets in OG5_130553
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130553 All targets in OG5_130553
Loa Loa (eye worm) haspin protein kinase Get druggable targets OG5_130553 All targets in OG5_130553
Schistosoma japonicum Serine/threonine-protein kinase haspin, putative Get druggable targets OG5_130553 All targets in OG5_130553
Loa Loa (eye worm) haspin protein kinase Get druggable targets OG5_130553 All targets in OG5_130553
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Echinococcus multilocularis serine:threonine protein kinase haspin Get druggable targets OG5_130553 All targets in OG5_130553

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 cyclin dependent kinase 5 activator 1 0.0411009 1 1
Loa Loa (eye worm) haspin protein kinase 0.0111963 0.00123959 0.00123959
Brugia malayi hypothetical protein 0.0196415 0.283294 1
Loa Loa (eye worm) hypothetical protein 0.0196415 0.283294 0.283294
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0411009 1 1
Loa Loa (eye worm) hypothetical protein 0.0411009 1 1
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0411009 1 1
Loa Loa (eye worm) hypothetical protein 0.0196415 0.283294 0.283294

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.9 uM Antiparasitic activity against Toxoplasma gondii RH tachyzoite expressing beta-galactosidase assessed as inhibition of tachyzoite invasion into human foreskin fibroblast host cells after 96 hrs by colorimetric microtitre assay ChEMBL. 26479029
IC50 (binding) > 10 uM Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP ChEMBL. 26479029
IC50 (binding) > 10 uM Inhibition of human recombinant haspin kinase domain expressed in Escherichia coli BL21-KRX using histone H3 (1 to 21) peptide substrate after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP ChEMBL. 26479029
IC50 (binding) > 10 uM Inhibition of human recombinant CDK5/P25 expressed in Escherichia coli using histone H1 substrate after 30 mins by scintillation and luminescence counting method in presence of [gamma-33P]ATP ChEMBL. 26479029

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Toxoplasma gondii 26479029

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.