Detailed information for compound 835614

Basic information

Technical information
  • TDR Targets ID: 835614
  • Name: [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-3- ylmethanone
  • MW: 285.316 | Formula: C16H16FN3O
  • H donors: 0 H acceptors: 2 LogP: 2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cccnc1
  • InChi: 1S/C16H16FN3O/c17-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16(21)13-2-1-7-18-12-13/h1-7,12H,8-11H2
  • InChiKey: LKDHAJBWSUABSQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(4-fluorophenyl)piperazin-1-yl]-(3-pyridyl)methanone
  • [4-(4-fluorophenyl)-1-piperazinyl]-(3-pyridyl)methanone
  • [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-3-yl-methanone
  • 124444-81-1
  • BIM-0018863.P001
  • ZINC00211506
  • 1-(4-Fluorophenyl)-4-(3-pyridinylcarbonyl)piperazine
  • Oprea1_655105
  • B-1 247
  • Piperazine, 1-(4-fluorophenyl)-4-(3-pyridinylcarbonyl)-
  • CBMicro_018866

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) excitatory amino acid transporter 0.0268 0.8025 0.8017
Trichomonas vaginalis set domain proteins, putative 0.0244 0.7214 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.046 0.015
Echinococcus multilocularis neutral amino acid transporter A 0.0268 0.8025 1
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1418 0.1386
Echinococcus granulosus Excitatory amino acid transporter 0.0268 0.8025 1
Chlamydia trachomatis glutamate symporter 0.0268 0.8025 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0119 0.3002 0.3711
Echinococcus granulosus neutral amino acid transporter A 0.0268 0.8025 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0357 0.032
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0268 0.8025 0.5
Echinococcus granulosus sodium:dicarboxylate symporter 0.0268 0.8025 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0038 0.5
Plasmodium vivax SET domain protein, putative 0.0031 0.0038 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0433 0.0495
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0268 0.8025 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0268 0.8025 1
Echinococcus granulosus chromobox protein 1 0.0072 0.1418 0.1767
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1418 0.1548
Echinococcus multilocularis excitatory amino acid transporter 2 0.0268 0.8025 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0038 0.0047
Echinococcus granulosus neutral amino acid transporter A 0.0268 0.8025 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0268 0.8025 1
Treponema pallidum glutamate/aspartate transporter 0.0119 0.3002 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0268 0.8025 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.6218 0.6203
Echinococcus multilocularis chromobox protein 1 0.0072 0.1418 0.1728
Echinococcus granulosus excitatory amino acid transporter 2 0.0268 0.8025 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0119 0.3002 0.3711
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0268 0.8025 1
Echinococcus granulosus Excitatory amino acid transporter 0.0268 0.8025 1
Echinococcus multilocularis neutral amino acid transporter A 0.0268 0.8025 1
Brugia malayi chromobox protein homolog 3 0.004 0.0357 0.0399
Onchocerca volvulus 0.0244 0.7214 0.8982
Echinococcus multilocularis neutral amino acid transporter A 0.0268 0.8025 1
Brugia malayi Pre-SET motif family protein 0.0214 0.6218 0.7737
Echinococcus multilocularis excitatory amino acid transporter 2 0.0268 0.8025 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0065 0.0027
Brugia malayi hypothetical protein 0.0125 0.3223 0.3987
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0268 0.8025 0.5
Brugia malayi Excitatory amino acid transporter 0.0268 0.8025 1
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0268 0.8025 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0268 0.8025 1
Onchocerca volvulus 0.0042 0.0433 0.0463
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1418 0.1548
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0357 0.0367
Echinococcus granulosus chromobox protein 1 0.0072 0.1418 0.1767
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.046 0.0497
Echinococcus granulosus neutral amino acid transporter 0.0268 0.8025 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0119 0.3002 0.3711
Schistosoma mansoni chromobox protein 0.0072 0.1418 0.1728
Echinococcus multilocularis Excitatory amino acid transporter 0.0268 0.8025 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.046 0.015
Echinococcus multilocularis chromobox protein 1 0.0072 0.1418 0.1728
Schistosoma mansoni chromobox protein 0.0072 0.1418 0.1728
Treponema pallidum glutamate transporter 0.0119 0.3002 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.0268 0.8025 1
Brugia malayi Heterochromatin protein 1 0.0072 0.1418 0.1728
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0119 0.3002 0.3711

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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