Detailed information for compound 1311842

Basic information

Technical information
  • TDR Targets ID: 1311842
  • Name: 2-[5-[[3-(phenylmethoxy)piperidin-1-yl]methyl ]-1,2,4-oxadiazol-3-yl]pyrazine
  • MW: 351.402 | Formula: C19H21N5O2
  • H donors: 0 H acceptors: 4 LogP: 1.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)COC1CCCN(C1)Cc1onc(n1)c1cnccn1
  • InChi: 1S/C19H21N5O2/c1-2-5-15(6-3-1)14-25-16-7-4-10-24(12-16)13-18-22-19(23-26-18)17-11-20-8-9-21-17/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2
  • InChiKey: UBGNWPDTTJKNST-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-[[3-(phenylmethoxy)-1-piperidyl]methyl]-1,2,4-oxadiazol-3-yl]pyrazine
  • 2-[5-[[3-(phenylmethoxy)-1-piperidinyl]methyl]-1,2,4-oxadiazol-3-yl]pyrazine
  • 2-[5-[[3-(benzyloxy)-1-piperidyl]methyl]-1,2,4-oxadiazol-3-yl]pyrazine
  • SMR000315220
  • 2-(5-{[3-(benzyloxy)piperidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine
  • MLS000732324

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1465 1 1
Echinococcus multilocularis aldo keto reductase 0.1465 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1465 1 1
Onchocerca volvulus 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Loa Loa (eye worm) oxidoreductase 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Trypanosoma cruzi aldo-keto reductase 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1465 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1465 1 1
Toxoplasma gondii aldose reductase, putative 0.1465 1 1
Schistosoma mansoni pol-related 0.1465 1 1
Plasmodium vivax aldehyde reductase, putative 0.0424 0.1743 0.5
Giardia lamblia Aldose reductase 0.1465 1 0.5
Loa Loa (eye worm) oxidoreductase 0.1465 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0424 0.1743 0.1743
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0424 0.1743 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Leishmania major prostaglandin f synthase, putative 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Onchocerca volvulus 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0424 0.1743 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Echinococcus multilocularis aldo keto reductase 0.1465 1 1
Loa Loa (eye worm) oxidoreductase 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Echinococcus granulosus aldehyde reductase 0.1041 0.6633 0.6633
Trypanosoma brucei prostaglandin f synthase 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1465 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Onchocerca volvulus 0.1465 1 1
Echinococcus multilocularis aldo keto reductase 0.1465 1 1
Echinococcus multilocularis aldehyde reductase 0.1041 0.6633 0.6633
Mycobacterium ulcerans oxidoreductase 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1465 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.1465 1 1
Entamoeba histolytica aldose reductase, putative 0.1465 1 1
Leishmania major aldo-keto reductase-like protein 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1465 1 1
Loa Loa (eye worm) oxidoreductase 0.1465 1 1
Echinococcus granulosus aldo keto reductase 0.1465 1 1
Giardia lamblia Aldose reductase 0.1465 1 0.5
Echinococcus granulosus aldo keto reductase 0.1465 1 1
Schistosoma mansoni potassium channel beta 0.0424 0.1743 0.1743
Onchocerca volvulus 0.1465 1 1
Echinococcus granulosus aldo keto reductase 0.1465 1 1
Entamoeba histolytica aldose reductase, putative 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Mycobacterium leprae Conserved hypothetical protein 0.1041 0.6633 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0424 0.1743 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Loa Loa (eye worm) oxidoreductase 0.1465 1 1
Onchocerca volvulus 0.1465 1 1
Loa Loa (eye worm) hypothetical protein 0.1465 1 1
Schistosoma mansoni aldo-keto reductase 0.1465 1 1
Entamoeba histolytica aldose reductase, putative 0.1465 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Onchocerca volvulus 0.1465 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0424 0.1743 0.1743
Echinococcus granulosus hypothetical protein 0.1465 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1465 1 1
Echinococcus multilocularis aldo keto reductase 0.1465 1 1
Schistosoma mansoni aldo-keto reductase 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0424 0.1743 0.1743
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1465 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.1465 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1465 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1465 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0021 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.0323 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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