Detailed information for compound 774109

Basic information

Technical information
  • TDR Targets ID: 774109
  • Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-py ridin-4-ylmethanone
  • MW: 295.379 | Formula: C18H21N3O
  • H donors: 0 H acceptors: 2 LogP: 1.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccncc1)N1CCN(CC1)Cc1ccccc1C
  • InChi: 1S/C18H21N3O/c1-15-4-2-3-5-17(15)14-20-10-12-21(13-11-20)18(22)16-6-8-19-9-7-16/h2-9H,10-14H2,1H3
  • InChiKey: VQMRHTKBSVKKOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone
  • [4-[(2-methylphenyl)methyl]-1-piperazinyl]-(4-pyridyl)methanone
  • [4-(2-methylbenzyl)piperazin-1-yl]-(4-pyridyl)methanone
  • [4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone
  • EU-0013461
  • Oprea1_857085
  • Oprea1_444127

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0033 0.4097 0.5371
Loa Loa (eye worm) hypothetical protein 0.0025 0.2111 0.2768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.7628 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.7628 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.6662 0.6662
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.4522 0.4522
Entamoeba histolytica hypothetical protein 0.0035 0.4522 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.4522 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 0.5
Brugia malayi hypothetical protein 0.0025 0.2111 0.2768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2111 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.6662 0.6662
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.4097 0.5371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.6662 0.6662
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.6662 0.6662
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.6662 0.6662
Entamoeba histolytica hypothetical protein 0.0035 0.4522 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2111 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.6662 0.6662
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.4522 0.4522
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.2111 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.6662 0.8734
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2111 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.4522 0.4522
Schistosoma mansoni aldehyde dehydrogenase 0.0059 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.7628 1
Brugia malayi hypothetical protein 0.0035 0.4522 0.5929
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.6662 0.6662
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.6662 0.8734
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.2111 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.4522 0.4522
Brugia malayi hypothetical protein 0.0016 0.0112 0.0147
Loa Loa (eye worm) hypothetical protein 0.0049 0.7628 1
Entamoeba histolytica hypothetical protein 0.0035 0.4522 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2111 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.4097 0.4097

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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