Detailed information for compound 24744

Basic information

Technical information
  • TDR Targets ID: 24744
  • Name: 1-cyclohexyl-4-phenylpiperidine
  • MW: 243.387 | Formula: C17H25N
  • H donors: 0 H acceptors: 0 LogP: 4.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)N1CCC(CC1)c1ccccc1
  • InChi: 1S/C17H25N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)17-9-5-2-6-10-17/h1,3-4,7-8,16-17H,2,5-6,9-14H2
  • InChiKey: ZMFMOZGIQRPJEA-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-cyclohexyl-4-phenyl-piperidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 18 (vesicular acetylcholine transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Abnormal catecholamine distribution protein 1 solute carrier family 18 (vesicular acetylcholine transporter), member 3 532 aa 504 aa 34.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.009 0.297 0.276
Schistosoma mansoni synaptic glycoprotein sc2 related 0.009 0.297 0.276
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.009 0.297 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.009 0.297 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.029 0.029
Trichomonas vaginalis conserved hypothetical protein 0.009 0.297 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.029 0.029
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.009 0.297 0.276
Mycobacterium ulcerans hypothetical protein 0.009 0.297 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0343 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.009 0.297 0.5
Brugia malayi hypothetical protein 0.0024 0.0343 0.0343
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.029 0.029
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.029 0.029
Brugia malayi ecdysteroid receptor 0.0023 0.029 0.029
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.009 0.297 1
Plasmodium falciparum polyprenol reductase, putative 0.009 0.297 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.009 0.297 0.5
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.009 0.297 0.276
Echinococcus multilocularis synaptic glycoprotein sc2 0.009 0.297 0.276
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.029 0.029
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Giardia lamblia Synaptic glycoprotein SC2 0.009 0.297 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.029 0.029
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.029 0.029
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.009 0.297 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.029 0.029
Schistosoma mansoni synaptic glycoprotein sc2 related 0.009 0.297 0.276
Brugia malayi steroid hormone receptor 0.0023 0.029 0.029
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.029 0.029
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.009 0.297 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.029 0.029
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.009 0.297 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.297 0.276
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.029 0.029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.029 0.029
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.009 0.297 1
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.029 0.029
Onchocerca volvulus 0.009 0.297 0.276
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 0.5
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.009 0.297 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 0.5
Brugia malayi nuclear hormone receptor 0.0023 0.029 0.029
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.009 0.297 0.297
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Brugia malayi Synaptic glycoprotein SC2 0.009 0.297 0.297
Loa Loa (eye worm) hypothetical protein 0.009 0.297 0.276
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 1 1
Echinococcus granulosus synaptic glycoprotein sc2 0.009 0.297 0.276
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.029 0.029
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.009 0.297 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.029 0.029
Entamoeba histolytica steroid 5-alpha reductase, putative 0.009 0.297 0.5
Brugia malayi nuclear receptor NHR-88 0.0023 0.029 0.029
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 1 1
Plasmodium vivax polyprenol reductase, putative 0.009 0.297 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.009 0.297 1
Entamoeba histolytica hypothetical protein 0.009 0.297 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.029 0.029

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1000 nM Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles ChEMBL. 2724295
IC50 (binding) = 1000 nM Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles ChEMBL. 2724295

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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