Detailed information for compound 2110446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.195 | Formula: C20H24N4O
  • H donors: 1 H acceptors: 3 LogP: 4.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: O=C1N(C2CCCCC2)c2c(C1(C)C)cnc(n2)Nc1ccccc1
  • InChi: InChI=1S/C20H24N4O/c1-20(2)16-13-21-19(22-14-9-5-3-6-10-14)23-17(16)24(18(20)25)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,21,22,23)
  • InChiKey: FEUYQCFUSRLTRF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 4 References
Homo sapiens BR serine/threonine kinase 2 References
Homo sapiens MAP/microtubule affinity-regulating kinase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serine:threonine protein kinase 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
Trypanosoma brucei gambiense protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Leishmania infantum serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei gambiense serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine protein kinase MARK2 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
Candida albicans likely protein kinase similar to S. cerevisiae KIN1 (YDR122W) and KIN2 (YLR096W) Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium vivax serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Toxoplasma gondii histone kinase SNF1, putative Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium falciparum serine/threonine protein kinase KIN Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma japonicum HD domain-containing protein 2 homolog, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128024 All targets in OG5_128024
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Cryptosporidium parvum OSK4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K07198 5'-AMP-activated protein kinase, catalytic alpha subunit, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126655 All targets in OG5_126655
Theileria parva 5'-AMP-activated protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum MAP/microtubule affinity-regulating kinase 4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K08798 MAP/microtubule affinity-regulating kinase, putative Get druggable targets OG5_128024 All targets in OG5_128024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma japonicum ko:K08796 BR serine/threonine kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium knowlesi serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi putative serine/threonine kinase SADA gamma Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128024 All targets in OG5_128024
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Neospora caninum hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Trypanosoma congolense SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Leishmania donovani SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655

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 0.0172 1 1
Plasmodium falciparum serine/threonine protein kinase KIN 0.0042 0 0.5
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0042 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0172 1 1
Schistosoma mansoni hypothetical protein 0.0073 0.2429 0.2429
Trypanosoma brucei SNF1-related protein kinases, putative 0.0042 0 0.5
Brugia malayi Kinase associated domain 1 family protein 0.0073 0.2429 0.557
Echinococcus multilocularis calcium activated potassium channel 0.0075 0.2515 0.2515
Echinococcus multilocularis serine:threonine protein kinase 0.0099 0.4362 0.4362
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0172 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.4362 1
Giardia lamblia Kinase, CAMK CAMKL 0.0042 0 0.5
Echinococcus granulosus calcium activated potassium channel 0.0075 0.2515 0.2515
Echinococcus granulosus serine:threonine protein kinase 0.0099 0.4362 0.4362
Schistosoma mansoni serine/threonine kinase 0.0075 0.2515 0.2515
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0042 0 0.5
Echinococcus multilocularis hypothetical protein 0.0073 0.2429 0.2429
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.2515 0.2515
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.2515 0.2515
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0172 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0075 0.2515 0.5766
Toxoplasma gondii histone kinase SNF1, putative 0.0042 0 0.5
Echinococcus multilocularis serine:threonine protein kinase 0.0099 0.4362 0.4362
Schistosoma mansoni hypothetical protein 0.0073 0.2429 0.2429
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0042 0 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0042 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.2515 0.2515
Schistosoma mansoni serine/threonine protein kinase 0.0172 1 1
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase 0.0099 0.4362 1
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0042 0 0.5
Echinococcus granulosus serine:threonine protein kinase 0.0099 0.4362 0.4362
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0075 0.2515 0.5766
Brugia malayi Protein kinase domain containing protein 0.0075 0.2515 0.5766
Loa Loa (eye worm) hypothetical protein 0.0099 0.4362 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2429 0.557
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0042 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0099 0.4362 1
Giardia lamblia Kinase, CAMK CAMKL 0.0042 0 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0042 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 304 nM Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay LITERATURE. 27816515
IC50 (binding) = 8600 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
IC50 (binding) > 10000 nM Inhibition of BRSK2 (unknown origin) 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.