Detailed information for compound 426979

Basic information

Technical information
  • TDR Targets ID: 426979
  • Name: 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyrida zin-3-yl]-1,2,4-oxadiazole
  • MW: 413.472 | Formula: C24H23N5O2
  • H donors: 0 H acceptors: 4 LogP: 4.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)OC1CCN(CC1)c1ccc(nn1)c1noc(n1)Cc1ccccc1
  • InChi: 1S/C24H23N5O2/c1-3-7-18(8-4-1)17-23-25-24(28-31-23)21-11-12-22(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
  • InChiKey: RAUPJMQHSZQHSE-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-benzyl-3-[6-(4-phenoxy-1-piperidyl)pyridazin-3-yl]-1,2,4-oxadiazole
  • 5-benzyl-3-[6-(4-phenoxy-1-piperidinyl)-3-pyridazinyl]-1,2,4-oxadiazole
  • 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(phenylmethyl)-1,2,4-oxadiazole
  • 5-benzyl-3-[6-(4-phenoxypiperidino)pyridazin-3-yl]-1,2,4-oxadiazole
  • 3-[4-(phenoxy)piperidin-1-yl]-6-[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]pyridazine
  • 3-[4-(phenoxy)-1-piperidyl]-6-[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]pyridazine
  • 3-[4-(phenoxy)-1-piperidinyl]-6-[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]pyridazine
  • 3-[5-(benzyl)-1,2,4-oxadiazol-3-yl]-6-[4-(phenoxy)-1-piperidyl]pyridazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus stearoyl-Coenzyme A desaturase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania mexicana fatty-acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Plasmodium berghei stearoyl-CoA desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania braziliensis stearic acid desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Trypanosoma brucei fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Plasmodium knowlesi stearoyl-CoA desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania major fatty-acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Trypanosoma cruzi fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Trypanosoma brucei gambiense fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Trypanosoma cruzi fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania donovani fatty-acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Trypanosoma cruzi fatty acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative Get druggable targets OG5_126939 All targets in OG5_126939
Candida albicans one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Loa Loa (eye worm) acyl-CoA desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania braziliensis fatty-acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania donovani stearic acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania major stearic acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania infantum fatty-acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Plasmodium yoelii delta-9 fatty acid desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Onchocerca volvulus Get druggable targets OG5_126939 All targets in OG5_126939
Neospora caninum fatty acyl-CoA desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania mexicana stearic acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Onchocerca volvulus Get druggable targets OG5_126939 All targets in OG5_126939
Brugia malayi acyl-CoA desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Leishmania infantum stearic acid desaturase, putative Get druggable targets OG5_126939 All targets in OG5_126939
Candida albicans one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase Get druggable targets OG5_126939 All targets in OG5_126939
Plasmodium falciparum stearoyl-CoA desaturase Get druggable targets OG5_126939 All targets in OG5_126939

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
Trypanosoma brucei fatty acid desaturase, putative 0.0086 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0085 0.9602 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0086 1 1
Entamoeba histolytica adenosine deaminase, putative 0.0085 0.9602 0.5
Mycobacterium ulcerans adenosine deaminase 0.0085 0.9602 0.5
Loa Loa (eye worm) acyl-CoA desaturase 0.0068 0.1008 0.1049
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0085 0.9602 0.5
Onchocerca volvulus 0.0086 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0085 0.9602 0.5
Echinococcus granulosus adenosine deaminase 0.0085 0.9602 1
Echinococcus multilocularis adenosine deaminase 0.0085 0.9602 1
Plasmodium vivax adenosine deaminase, putative 0.0085 0.9602 1
Plasmodium falciparum adenosine deaminase 0.0085 0.9602 1
Trichomonas vaginalis adenosine deaminase, putative 0.0085 0.9602 0.5
Schistosoma mansoni adenosine deaminase-related 0.0085 0.9602 1
Brugia malayi acyl-CoA desaturase 0.0068 0.1008 0.1049
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0085 0.9602 0.5
Onchocerca volvulus 0.0086 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.9602 1
Leishmania major fatty-acid desaturase, putative 0.0086 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0085 0.9602 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0085 0.9602 0.5
Schistosoma mansoni adenosine deaminase 0.0085 0.9602 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0085 0.9602 1
Onchocerca volvulus Adenosine deaminase homolog 0.0085 0.9602 0.9602
Treponema pallidum adenosine deaminase 0.0085 0.9602 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 35 nM Inhibition of human recombinant SCD1 expressed in S6 cells ChEMBL. 17530838
IC50 (binding) < 40 nM Inhibition of SCD1 in ob/ob mouse liver microsome ChEMBL. 17530838
IC50 (binding) < 40 nM Inhibition of SCD1 in ob/ob mouse liver microsome ChEMBL. 17530838
Stabilty (ADMET) = 0.6 % Metabolic stability in Sprague-Dawley rat liver microsome ChEMBL. 17530838
Stabilty (ADMET) = 1.2 % Metabolic stability in ob/ob mouse liver microsome ChEMBL. 17530838

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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