Detailed information for compound 1481734

Basic information

Technical information
  • TDR Targets ID: 1481734
  • Name: methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)meth yl]piperidine-4-carboxylate
  • MW: 301.34 | Formula: C16H19N3O3
  • H donors: 0 H acceptors: 3 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CCN(CC1)Cc1nnc(o1)c1ccccc1
  • InChi: 1S/C16H19N3O3/c1-21-16(20)13-7-9-19(10-8-13)11-14-17-18-15(22-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
  • InChiKey: RNBNAJBHOGRBOQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-piperidinecarboxylic acid methyl ester
  • 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]isonipecotic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D3 Starlite/ChEMBL No 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
Brugia malayi hypothetical protein dopamine receptor D3 400 aa 392 aa 19.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0668 0.4182 0.3671
Onchocerca volvulus 0.078 0.5352 0.4944
Brugia malayi Trypsin family protein 0.1126 0.8969 0.8878
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1126 0.8969 0.8878
Echinococcus multilocularis tissue type plasminogen activator 0.1224 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.1224 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0346 0.0807 0.5
Brugia malayi Muscle positioning protein 4 0.0744 0.4975 0.4534
Loa Loa (eye worm) hypothetical protein 0.1126 0.8969 0.8878
Onchocerca volvulus 0.0668 0.4182 0.3671
Brugia malayi Kringle domain containing protein 0.1224 1 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0668 0.4182 0.3671
Onchocerca volvulus 0.0744 0.4975 0.4534
Schistosoma mansoni hypothetical protein 0.0668 0.4182 0.3671
Leishmania major hypothetical protein, conserved 0.1224 1 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0353 0.0882 0.0081
Plasmodium falciparum cysteine repeat modular protein 1 0.1224 1 0.5
Onchocerca volvulus 0.1224 1 1
Onchocerca volvulus 0.0668 0.4182 0.3671
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1224 1 0.5
Echinococcus granulosus tissue type plasminogen activator 0.1224 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.1224 1 1
Loa Loa (eye worm) hypothetical protein 0.1126 0.8969 0.8878
Loa Loa (eye worm) hypothetical protein 0.1224 1 1
Brugia malayi SEA domain containing protein 0.0668 0.4182 0.3671
Onchocerca volvulus 0.0668 0.4182 0.3671
Toxoplasma gondii kringle domain-containing protein 0.1224 1 1
Onchocerca volvulus 0.0668 0.4182 0.3671
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1148 0.9208 0.9138
Onchocerca volvulus 0.1126 0.8969 0.8878
Loa Loa (eye worm) hypothetical protein 0.0744 0.4975 0.4534
Schistosoma mansoni hypothetical protein 0.1224 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

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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