Detailed information for compound 171194

Basic information

Technical information
  • TDR Targets ID: 171194
  • Name: 5-(1-naphthalen-1-ylpropyl)-1H-imidazole
  • MW: 236.312 | Formula: C16H16N2
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1cccc2c1cccc2)c1c[nH]cn1
  • InChi: 1S/C16H16N2/c1-2-13(16-10-17-11-18-16)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,13H,2H2,1H3,(H,17,18)
  • InChiKey: LDZDVSZUAUUBGV-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[1-(1-naphthyl)propyl]-1H-imidazole
  • 5-[1-(1-naphthalenyl)propyl]-1H-imidazole
  • 4-(1-naphthalen-1-ylpropyl)-3H-imidazole
  • 4-[1-(1-naphthyl)propyl]-3H-imidazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni biogenic amine (5HT) receptor Adrenergic receptor alpha-2   450 aa 433 aa 27.9 %
Loa Loa (eye worm) TYRA-2 protein Adrenergic receptor alpha-2   450 aa 488 aa 23.8 %
Echinococcus granulosus alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 476 aa 21.0 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 420 aa 19.8 %
Echinococcus multilocularis fmrfamide receptor Adrenergic receptor alpha-2   450 aa 366 aa 19.9 %
Schistosoma mansoni amine GPCR Adrenergic receptor alpha-2   450 aa 439 aa 29.2 %
Echinococcus multilocularis alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 478 aa 20.7 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Adrenergic receptor alpha-2   450 aa 378 aa 20.9 %
Echinococcus granulosus biogenic amine 5HT receptor Adrenergic receptor alpha-2   450 aa 423 aa 31.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Adrenergic receptor alpha-2   450 aa 473 aa 24.1 %
Echinococcus multilocularis serotonin receptor Adrenergic receptor alpha-2   450 aa 426 aa 31.9 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 467 aa 25.1 %
Echinococcus multilocularis neuropeptides capa receptor Adrenergic receptor alpha-2   450 aa 486 aa 20.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.129 0.3446 0.3407
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.3715 1 1
Entamoeba histolytica hypothetical protein 0.2425 0.6514 0.6494
Echinococcus granulosus jun protein 0.0086 0.0191 0.0191
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.3715 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.3715 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.3715 1 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.129 0.3446 0.5
Echinococcus granulosus dUTP pyrophosphatase 0.3715 1 1
Schistosoma mansoni jun-related protein 0.007 0.0148 0.0148
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.129 0.3446 0.5
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.3715 1 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.129 0.3446 0.3407
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.3715 1 0.5
Schistosoma mansoni hypothetical protein 0.007 0.0148 0.0148
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0059 0.0059
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.3715 1 0.5
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.3715 1 1
Brugia malayi bZIP transcription factor family protein 0.0086 0.0191 0.0133
Loa Loa (eye worm) dUTP diphosphatase 0.3715 1 1
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.129 0.3446 0.5
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.129 0.3446 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.3715 1 1
Echinococcus multilocularis jun protein 0.0086 0.0191 0.0191
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.129 0.3446 0.3407
Wolbachia endosymbiont of Brugia malayi dUTPase 0.3715 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.3715 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.0191 0.0191
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.3715 1 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.0191 0.0191
Entamoeba histolytica hypothetical protein 0.3715 1 1
Brugia malayi hypothetical protein 0.0067 0.0142 0.0083
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.3715 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0185 0.0185
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0163 0.0163
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.3715 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0059 0.0059
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.3715 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0163 0.0163
Onchocerca volvulus 0.0067 0.0142 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0059 0.0059
Echinococcus multilocularis dUTP pyrophosphatase 0.3715 1 1
Entamoeba histolytica hypothetical protein 0.2425 0.6514 0.6494

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 165 nM Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain using 0.2 nM [3H]-rauwolscine as radioligand ChEMBL. 8709134
Ki (binding) = 165 nM Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain using 0.2 nM [3H]-rauwolscine as radioligand ChEMBL. 8709134
Ki (binding) = 574 nM Alpha-1 adrenergic receptor binding affinity in rat brain membranes ChEMBL. 8709134
Ki (binding) = 574 nM Alpha-1 adrenergic receptor binding affinity in rat brain membranes ChEMBL. 8709134
Ratio (binding) = 3.48 Selectivity ratio of Ki of alpha-1 adrenergic receptor to alpha-2 receptor ChEMBL. 8709134

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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