Detailed information for compound 27750

Basic information

Technical information
  • TDR Targets ID: 27750
  • Name: 4-phenyl-4-(phenylmethoxymethyl)piperidine
  • MW: 281.392 | Formula: C19H23NO
  • H donors: 1 H acceptors: 0 LogP: 3.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)COCC1(CCNCC1)c1ccccc1
  • InChi: 1S/C19H23NO/c1-3-7-17(8-4-1)15-21-16-19(11-13-20-14-12-19)18-9-5-2-6-10-18/h1-10,20H,11-16H2
  • InChiKey: NOQQPVOPNXNAQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(benzyloxymethyl)-4-phenyl-piperidine
  • 4-(benzyloxymethyl)-4-phenylpiperidine
  • 4-(benzoxymethyl)-4-phenyl-piperidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
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
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.7799 0.7799
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0082 0.4296 0.4296
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0121 1 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0053 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0121 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0121 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0121 1 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0121 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0082 0.4296 0.4296
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.7799 0.7799
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Toxoplasma gondii hypothetical protein 0.0106 0.7799 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0053 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.7799 0.7799
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0121 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0121 1 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0121 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0121 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0121 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.96 Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]-SP. ChEMBL. 9733486
IC50 (functional) = 1100 nM Antagonistic activity against human Tachykinin receptor 1 ChEMBL. 7731011
IC50 (functional) = 1100 nM Antagonistic activity against human Tachykinin receptor 1 ChEMBL. 7731011
IC50 (binding) = 1113 nM Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells. ChEMBL. 9804702
IC50 (binding) = 1113 nM Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells. ChEMBL. 9804702
Log IC50 (binding) = 5.96 M Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]-SP. ChEMBL. 9733486

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

3 literature references were collected for this gene.

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