Detailed information for compound 681714

Basic information

Technical information
  • TDR Targets ID: 681714
  • Name: 2-methoxy-N-[2-(4-methylphenyl)-2-(4-methylpi perazin-1-yl)ethyl]benzamide
  • MW: 367.485 | Formula: C22H29N3O2
  • H donors: 1 H acceptors: 1 LogP: 2.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)NCC(c1ccc(cc1)C)N1CCN(CC1)C
  • InChi: 1S/C22H29N3O2/c1-17-8-10-18(11-9-17)20(25-14-12-24(2)13-15-25)16-23-22(26)19-6-4-5-7-21(19)27-3/h4-11,20H,12-16H2,1-3H3,(H,23,26)
  • InChiKey: DCDYUJVUWIMBKK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-methoxy-N-[2-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)ethyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hyperpolarization activated cyclic nucleotide-gated potassium channel 1 Starlite/ChEMBL References
Homo sapiens hyperpolarization activated cyclic nucleotide-gated potassium channel 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum IPR013621,Ion transport N-terminal,domain-containing Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum ko:K08282 non-specific serine/threonine protein kinase [EC2.7.11.1], putative Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3, putative Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, putative Get druggable targets OG5_128920 All targets in OG5_128920
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus granulosus hyperpolarization activated cyclic Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus multilocularis hyperpolarization activated cyclic Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus multilocularis potassium:sodium hyperpolarization activated Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus granulosus potassium:sodium hyperpolarization activated Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus granulosus hyperpolarization activated cyclic Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel Get druggable targets OG5_128920 All targets in OG5_128920
Echinococcus multilocularis hyperpolarization activated cyclic Get druggable targets OG5_128920 All targets in OG5_128920
Schistosoma japonicum Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, putative Get druggable targets OG5_128920 All targets in OG5_128920

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
Schistosoma mansoni hypothetical protein 0.0172 0.3168 0.3168
Echinococcus multilocularis hyperpolarization activated cyclic 0.0294 1 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0294 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0294 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0294 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0294 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0122 0.0329 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0294 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0294 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.7 Inhibition of human HCN4 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay ChEMBL. 21824780
IC50 (binding) = 5.6 Inhibition of human HCN1 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay ChEMBL. 21824780

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.

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