Detailed information for compound 1986454

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.556 | Formula: C26H30N6O
  • H donors: 2 H acceptors: 4 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C[C@@H]1CC[C@H](CC1)Nc1c(cnc2c1nc(cc2)c1ccc2c(c1)nc[nH]2)C(=O)C)C
  • InChi: 1S/C26H30N6O/c1-16(33)20-13-27-23-11-10-21(18-6-9-22-24(12-18)29-15-28-22)31-26(23)25(20)30-19-7-4-17(5-8-19)14-32(2)3/h6,9-13,15,17,19H,4-5,7-8,14H2,1-3H3,(H,27,30)(H,28,29)/t17-,19-
  • InChiKey: QFDBJNLUTSBZRM-UAPYVXQJSA-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 maternal embryonic leucine zipper kinase Starlite/ChEMBL No 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_133787 All targets in OG5_133787
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_133787 All targets in OG5_133787
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_133787 All targets in OG5_133787
Echinococcus multilocularis maternal embryonic leucine zipper kinase Get druggable targets OG5_133787 All targets in OG5_133787
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_133787 All targets in OG5_133787
Echinococcus granulosus maternal embryonic leucine zipper kinase Get druggable targets OG5_133787 All targets in OG5_133787
Schistosoma japonicum gsx family homeobox protein; serine/threonine kinase Get druggable targets OG5_133787 All targets in OG5_133787
Schistosoma mansoni serine/threonine kinase Get druggable targets OG5_133787 All targets in OG5_133787
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase Get druggable targets OG5_133787 All targets in OG5_133787
Schistosoma japonicum ko:K08799 maternal embryonic leucine zipper kinase, putative Get druggable targets OG5_133787 All targets in OG5_133787

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 histone deacetylase 7 0.0069 0.2963 0.5254
Onchocerca volvulus Histone deacetylase 10 homolog 0.0036 0 0.5
Plasmodium vivax histone deacetylase, putative 0.0069 0.2963 0.619
Brugia malayi Histone deacetylase 1 0.0089 0.4786 0.4786
Loa Loa (eye worm) histone deacetylase 0.0069 0.2963 0.2963
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1211 0.1211
Loa Loa (eye worm) histone deacetylase 3 0.0089 0.4786 0.4786
Schistosoma mansoni histone deacetylase 0.0089 0.4786 0.4786
Plasmodium falciparum histone deacetylase 1 0.0089 0.4786 1
Schistosoma mansoni hypothetical protein 0.0049 0.1178 0.1178
Echinococcus granulosus histone deacetylase 6 0.0076 0.3612 0.6405
Loa Loa (eye worm) hypothetical protein 0.0049 0.1178 0.1178
Echinococcus granulosus histone deacetylase 7 0.0069 0.2963 0.5254
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0049 0.1211 0.2148
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0049 0.1211 0.2148
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1211 0.1211
Echinococcus granulosus histone deacetylase 1 0.0089 0.4786 0.8488
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5639 0.1636
Brugia malayi histone deacetylase 1 (HD1) 0.0089 0.4786 0.4786
Trypanosoma cruzi histone deacetylase 1, putative 0.0089 0.4786 1
Leishmania major histone deacetylase, putative 0.0089 0.4786 1
Echinococcus granulosus histone deacetylase 6 0.0069 0.2963 0.5254
Echinococcus multilocularis histone deacetylase 6 0.0069 0.2963 0.5254
Schistosoma mansoni hypothetical protein 0.0049 0.1178 0.1178
Schistosoma mansoni histone deacetylase 4 5 0.0069 0.2963 0.2963
Schistosoma mansoni serine/threonine kinase 0.0148 1 1
Echinococcus multilocularis histone deacetylase 6 0.0069 0.2963 0.5254
Echinococcus multilocularis hypothetical protein 0.0049 0.1178 0.2089
Brugia malayi Histone deacetylase family protein 0.0069 0.2963 0.2963
Loa Loa (eye worm) histone deacetylase 1 0.0089 0.4786 0.4786
Brugia malayi Histone deacetylase family protein 0.0069 0.2963 0.2963
Toxoplasma gondii histone deacetylase HDAC3 0.0089 0.4786 1
Echinococcus multilocularis histone deacetylase 1 0.0089 0.4786 0.8488
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1211 0.1211
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1211 0.1211
Toxoplasma gondii histone deacetylase HDAC2 0.0089 0.4786 1
Entamoeba histolytica histone deacetylase, putative 0.0089 0.4786 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0089 0.4786 0.4786
Trypanosoma cruzi histone deacetylase, putative 0.0069 0.2963 0.619
Loa Loa (eye worm) histone deacetylase 7A 0.0069 0.2963 0.2963
Loa Loa (eye worm) hypothetical protein 0.0041 0.0428 0.0428
Leishmania major histone deacetylase, putative 0.0089 0.4786 1
Echinococcus granulosus histone deacetylase 0.0069 0.2963 0.5254
Brugia malayi Kinase associated domain 1 family protein 0.0049 0.1178 0.1178
Trypanosoma brucei histone deacetylase 3 0.0069 0.2963 0.619
Echinococcus multilocularis histone deacetylase 6 0.0076 0.3612 0.6405
Trypanosoma brucei histone deacetylase 4 0.0069 0.2963 0.619
Trypanosoma brucei histone deacetylase 1 0.0089 0.4786 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.5639 0.1636
Trypanosoma cruzi histone deacetylase, putative 0.0069 0.2963 0.619
Echinococcus granulosus histone deacetylase 3 0.0089 0.4786 0.8488
Echinococcus multilocularis histone deacetylase 3 0.0089 0.4786 0.8488
Giardia lamblia Histone deacetylase 0.0089 0.4786 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0069 0.2963 0.619
Plasmodium vivax histone deacetylase 1, putative 0.0089 0.4786 1
Schistosoma mansoni histone deacetylase 0.0089 0.4786 0.4786
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0049 0.1211 0.2148
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0049 0.1211 0.2148
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0099 0.5639 1
Schistosoma mansoni histone deacetylase 4 5 0.0069 0.2963 0.2963
Loa Loa (eye worm) hypothetical protein 0.0089 0.4786 0.4786
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0148 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0069 0.2963 0.619
Trichomonas vaginalis CAMK family protein kinase 0.0148 1 1
Echinococcus granulosus histone deacetylase 6 0.0069 0.2963 0.5254
Trypanosoma cruzi histone deacetylase 1, putative 0.0089 0.4786 1
Schistosoma mansoni histone deacetylase hda2 0.0076 0.3612 0.3612
Echinococcus multilocularis calcium activated potassium channel 0.0049 0.1211 0.2148
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1211 0.1211
Echinococcus granulosus calcium activated potassium channel 0.0049 0.1211 0.2148
Trypanosoma brucei histone deacetylase, putative 0.0069 0.2963 0.619
Echinococcus multilocularis histone deacetylase 0.0069 0.2963 0.5254
Toxoplasma gondii histone deacetylase HDAC1 0.0069 0.2963 0.619
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0099 0.5639 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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