Detailed information for compound 2136647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.206 | Formula: C23H26N4O2
  • H donors: 2 H acceptors: 3 LogP: 2.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC(CN1CCc2c(C1)cccc2)CNC(=O)c1cccc(c1)c1ccnn1C
  • InChi: InChI=1S/C23H26N4O2/c1-26-22(9-11-25-26)18-7-4-8-19(13-18)23(29)24-14-21(28)16-27-12-10-17-5-2-3-6-20(17)15-27/h2-9,11,13,21,28H,10,12,14-16H2,1H3,(H,24,29)
  • InChiKey: XDBXWOBBDTXNKD-UHFFFAOYSA-N  


Substructure search Similarity search

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 WD repeat domain 77 No references
Homo sapiens protein arginine methyltransferase 5 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense methyltransferase, putative Get druggable targets OG5_128174 All targets in OG5_128174
Babesia bovis skb1 methyltransferase family protein, putative Get druggable targets OG5_128174 All targets in OG5_128174
Cryptosporidium parvum Hs17p, histone methylase Get druggable targets OG5_128174 All targets in OG5_128174
Plasmodium yoelii protein methyltransferase-related Get druggable targets OG5_128174 All targets in OG5_128174
Plasmodium knowlesi protein arginine N-methyltransferase 5, putative Get druggable targets OG5_128174 All targets in OG5_128174
Schistosoma mansoni shk1 kinase-binding protein Get druggable targets OG5_128174 All targets in OG5_128174
Theileria parva kinase binding protein, putative Get druggable targets OG5_128174 All targets in OG5_128174
Echinococcus granulosus protein arginine N methyltransferase 5 Get druggable targets OG5_128174 All targets in OG5_128174
Loa Loa (eye worm) Skb1 methyltransferase Get druggable targets OG5_128174 All targets in OG5_128174
Plasmodium falciparum protein arginine N-methyltransferase 5, putative Get druggable targets OG5_128174 All targets in OG5_128174
Brugia malayi Skb1 methyltransferase family protein Get druggable targets OG5_128174 All targets in OG5_128174
Trypanosoma brucei gambiense methyltransferase, putative Get druggable targets OG5_128174 All targets in OG5_128174
Trichomonas vaginalis shk1 kinase-binding protein, putative Get druggable targets OG5_128174 All targets in OG5_128174
Entamoeba histolytica Skb1 methyltransferase, putative Get druggable targets OG5_128174 All targets in OG5_128174
Trypanosoma brucei arginine N-methyltransferase, type II Get druggable targets OG5_128174 All targets in OG5_128174
Neospora caninum Protein arginine methyltransferase 5, related Get druggable targets OG5_128174 All targets in OG5_128174
Leishmania braziliensis arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 Get druggable targets OG5_128174 All targets in OG5_128174
Plasmodium vivax protein arginine N-methyltransferase 5, putative Get druggable targets OG5_128174 All targets in OG5_128174
Leishmania major arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 Get druggable targets OG5_128174 All targets in OG5_128174
Leishmania infantum arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 Get druggable targets OG5_128174 All targets in OG5_128174
Echinococcus multilocularis protein arginine N methyltransferase 5 Get druggable targets OG5_128174 All targets in OG5_128174
Schistosoma japonicum ko:K00599 protein arginine N-methyltransferase 5 [EC:2.1.1.-], putative Get druggable targets OG5_128174 All targets in OG5_128174
Trichomonas vaginalis shk1 kinase-binding protein, putative Get druggable targets OG5_128174 All targets in OG5_128174
Toxoplasma gondii histone arginine methyltransferase PRMT5 Get druggable targets OG5_128174 All targets in OG5_128174
Leishmania donovani methyltransferase-like protein Get druggable targets OG5_128174 All targets in OG5_128174
Cryptosporidium hominis protein methyltransferase-related Get druggable targets OG5_128174 All targets in OG5_128174
Trypanosoma cruzi arginine N-methyltransferase, type II, putative Get druggable targets OG5_128174 All targets in OG5_128174
Leishmania mexicana methyltransferase-like protein Get druggable targets OG5_128174 All targets in OG5_128174
Plasmodium berghei protein arginine N-methyltransferase 5, putative Get druggable targets OG5_128174 All targets in OG5_128174
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei pre-mrna-processing factor 17 WD repeat domain 77 342 aa 298 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0049 0 0.5
Leishmania major arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 0.0049 0 0.5
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0049 0 0.5
Echinococcus multilocularis protein arginine N methyltransferase 5 0.0076 1 0.5
Loa Loa (eye worm) Skb1 methyltransferase 0.0076 1 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT5 0.0076 1 0.5
Entamoeba histolytica Skb1 methyltransferase, putative 0.0076 1 0.5
Trypanosoma cruzi arginine N-methyltransferase, type II, putative 0.0049 0 0.5
Schistosoma mansoni shk1 kinase-binding protein 0.0076 1 0.5
Trypanosoma brucei arginine N-methyltransferase, type II 0.0049 0 0.5
Echinococcus granulosus protein arginine N methyltransferase 5 0.0076 1 0.5
Plasmodium falciparum protein arginine N-methyltransferase 5, putative 0.0076 1 0.5
Plasmodium vivax protein arginine N-methyltransferase 5, putative 0.0076 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) < 0.1 uM Inhibition of PRMT5 in human Z138 cells assessed as decrease in di-methyl arginine levels after 96 hrs by Western blot method PATENT. No reference
IC50 (binding) < 0.1 uM Inhibition of recombinant human fetal brain FLAG-tagged PRMT5/full length human testis 6His-tagged MEP50 expressed in baculovirus infected insect Sf9 cells using human histone H4 (1 to 15 residues) as substrate preincubated for 30 mins followed by [3H]-SAM addition PATENT. No reference

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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