Detailed information for compound 2148770

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 247.205 | Formula: C15H25N3
  • H donors: 2 H acceptors: 0 LogP: 2.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 0
  • SMILES: CNCCN1CCC(CC1)CNc1ccccc1
  • InChi: InChI=1S/C15H25N3/c1-16-9-12-18-10-7-14(8-11-18)13-17-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3
  • InChiKey: LQMZTSHUQPYZKP-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 coactivator-associated arginine methyltransferase 1 References
Homo sapiens protein arginine methyltransferase 6 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_134380 All targets in OG5_134380
Schistosoma mansoni protein arginine n-methyltransferase Get druggable targets OG5_131706 All targets in OG5_131706
Brugia malayi Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Schistosoma japonicum ko:K05931 Arginine methyltransferase 4 [EC:2.1.1.125], putative Get druggable targets OG5_131706 All targets in OG5_131706
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 Get druggable targets OG5_131706 All targets in OG5_131706
Onchocerca volvulus Get druggable targets OG5_131706 All targets in OG5_131706
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_134380 All targets in OG5_134380
Echinococcus multilocularis histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706
Loa Loa (eye worm) Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Neospora caninum Protein arginine methyltransferase, related Get druggable targets OG5_131706 All targets in OG5_131706
Echinococcus granulosus histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone-arginine methyltransferase CARM1, putative protein arginine methyltransferase 6 375 aa 353 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0154 1 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0154 1 0.5
Loa Loa (eye worm) Carm1-pending protein 0.0154 1 0.5
Onchocerca volvulus 0.014 0 0.5
Schistosoma mansoni protein arginine n-methyltransferase 0.0154 1 0.5
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0154 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 103 nM Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with protein followed by addition of biotin labeled histone H3 (1 to 25) peptide as substrate and [3H]-SAM measured after 3 hrs by scintillation proximity assay LITERATURE. 27584694
IC50 (binding) = 116 nM Inhibition of human full length PRMT6 (1 to 375 residues) expressed in baculovirus expression system assessed as inhibition of methylation activity preincubated with protein followed by addition of biotin labeled histone H4 (1 to 24) peptide as substrate and [3H]-SAM measured after 3 hrs by scintillation proximity assay LITERATURE. 27584694

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.