Detailed information for compound 2113121

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.19 | Formula: C23H23N5O
  • H donors: 2 H acceptors: 3 LogP: 3.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: Nc1cccc2c1CC[C@@H]2N1c2nc(ncc2C(C1=O)(C)C)Nc1ccccc1
  • InChi: InChI=1S/C23H23N5O/c1-23(2)17-13-25-22(26-14-7-4-3-5-8-14)27-20(17)28(21(23)29)19-12-11-15-16(19)9-6-10-18(15)24/h3-10,13,19H,11-12,24H2,1-2H3,(H,25,26,27)/t19-/m0/s1
  • InChiKey: NLYZJYHBZFQGDP-IBGZPJMESA-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 MAP/microtubule affinity-regulating kinase 3 References
Homo sapiens MAP/microtubule affinity-regulating kinase 4 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Candida albicans likely protein kinase similar to S. cerevisiae KIN1 (YDR122W) and KIN2 (YLR096W) Get druggable targets OG5_128024 All targets in OG5_128024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128024 All targets in OG5_128024
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma japonicum ko:K08798 MAP/microtubule affinity-regulating kinase, putative Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024

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 serine:threonine protein kinase MARK2 0.0171 1 1
Echinococcus multilocularis calcium activated potassium channel 0.0074 0.0057 0.0057
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0057 0.0057
Echinococcus multilocularis serine:threonine protein kinase 0.0098 0.251 0.251
Echinococcus granulosus serine:threonine protein kinase 0.0098 0.251 0.2467
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.251 1
Schistosoma mansoni serine/threonine kinase 0.0074 0.0057 0.0057
Echinococcus granulosus serine:threonine protein kinase 0.0098 0.251 0.2467
Brugia malayi Protein kinase domain containing protein 0.0098 0.251 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0171 1 1
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0074 0.0057 0.0226
Schistosoma mansoni serine/threonine protein kinase 0.0171 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0171 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0057 0.0057
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase 0.0098 0.251 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.251 1
Brugia malayi Protein kinase domain containing protein 0.0074 0.0057 0.0226
Echinococcus multilocularis serine:threonine protein kinase 0.0098 0.251 0.251
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0057 0.0057
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0171 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 nM Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay LITERATURE. 27816515
IC50 (binding) = 450 nM Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by AlphaLisa assay LITERATURE. 27816515

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.