Detailed information for compound 1519039

Basic information

Technical information
  • TDR Targets ID: 1519039
  • Name: 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl) methyl]piperidin-3-yl]oxymethyl]pyridine
  • MW: 356.442 | Formula: C18H20N4O2S
  • H donors: 0 H acceptors: 3 LogP: 2.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)COC1CCCN(C1)Cc1onc(n1)c1cccs1
  • InChi: 1S/C18H20N4O2S/c1-4-14(10-19-7-1)13-23-15-5-2-8-22(11-15)12-17-20-18(21-24-17)16-6-3-9-25-16/h1,3-4,6-7,9-10,15H,2,5,8,11-13H2
  • InChiKey: BFWCWVAXTVJNND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]oxymethyl]pyridine
  • 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidinyl]oxymethyl]pyridine
  • MLS000733649
  • SMR000317626
  • 3-{[(1-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-3-yl)oxy]methyl}pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0015 0.0045 0.0007
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0199
Onchocerca volvulus 0.0015 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0293 0.1375
Onchocerca volvulus 0.0015 0.0042 0.5
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0243 0.0961
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum mitogen-activated protein kinase 2 0.0177 0.3622 0.3595
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Brugia malayi Sugar transporter family protein 0.0109 0.2128 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Entamoeba histolytica hypothetical protein 0.0043 0.0665 1
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1199
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0454 0.1973
Leishmania major glucose transporter, lmgt3 0.0034 0.0454 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0429 0.1154
Onchocerca volvulus 0.0015 0.0042 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Schistosoma mansoni hypothetical protein 0.0015 0.0045 0.0007
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0445 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0243 0.0308
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0161 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0109 0.2128 0.6223
Echinococcus granulosus GPCR family 2 0.0015 0.0045 0.0007
Onchocerca volvulus 0.0015 0.0042 0.5
Onchocerca volvulus 0.0015 0.0042 0.5
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1199
Plasmodium vivax CDK-related protein kinase 6, putative 0.0464 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus granulosus General substrate transporter 0.0094 0.1787 0.5205
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0445 0.0404
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0454 0.1973
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Loa Loa (eye worm) sugar transporter 0.0109 0.2128 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Entamoeba histolytica hypothetical protein 0.0043 0.0665 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Brugia malayi hypothetical protein 0.0043 0.0665 0.2986
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0444 0.7919
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0444 0.1925
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0243 0.0598
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0454 0.1973
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0045 0.0007
Plasmodium falciparum proline--tRNA ligase 0.0038 0.055 0.051
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Onchocerca volvulus 0.0015 0.0042 0.5
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0161 1
Trypanosoma brucei glucose transporter 1E 0.0034 0.0454 0.8107
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0243 1
Onchocerca volvulus 0.0015 0.0042 0.5
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0033 0.0429 0.1855
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0045 0.0211
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.055 0.0779
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0033 0.0429 0.1154
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0445 0.0617
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.6223
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0445 0.0404
Onchocerca volvulus Putative transporter 0.0015 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0045 0.0007
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0176 0.0641
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.8107
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0243 0.0961
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0444 0.1199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0033 0.0429 0.1855
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0042 0.5
Entamoeba histolytica protein kinase, putative 0.0033 0.0444 0.477
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0444 0.2088
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0199
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0243 0.0598
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.8107
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0445 0.0404
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0033 0.0429 0.1154
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Entamoeba histolytica protein kinase, putative 0.0033 0.0444 0.477
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0243 0.0598
Toxoplasma gondii facilitative glucose transporter GT1 0.0109 0.2128 0.3201
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Schistosoma mansoni hypothetical protein 0.0015 0.0045 0.0007
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.8107
Onchocerca volvulus 0.0015 0.0042 0.5
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0243 0.0201
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.6223
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0243 0.0598
Schistosoma mansoni hypothetical protein 0.0033 0.0444 0.1198
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0665 0.1858
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0113 0.1383
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0445 0.0617
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0033 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0211
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0243 0.395
Onchocerca volvulus 0.0015 0.0042 0.5
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0445 0.0404
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0445 0.0404
Toxoplasma gondii protein kinase, putative 0.0309 0.6557 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Leishmania major protein kinase, putative 0.0033 0.0444 0.7919
Trypanosoma brucei glucose transporter 2A 0.0034 0.0454 0.8107
Echinococcus multilocularis GPCR, family 2 0.0015 0.0045 0.0007
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0243 0.3046
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum hexose transporter 0.0109 0.2128 0.2094
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Loa Loa (eye worm) hypothetical protein 0.0024 0.0243 0.1141
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.8107
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0045 0.0007
Onchocerca volvulus 0.0015 0.0042 0.5
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0398 0.1062
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0444 0.1199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0787 0.3573
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0243 0.0201
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0243 0.395
Schistosoma mansoni hypothetical protein 0.0109 0.2128 0.6223
Loa Loa (eye worm) hypothetical protein 0.0033 0.0444 0.2088
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.8107
Giardia lamblia Prolyl-tRNA synthetase 0.0033 0.0429 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0177 0.3622 0.3595
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.8107
Echinococcus multilocularis General substrate transporter 0.0094 0.1787 0.5205
Schistosoma mansoni hypothetical protein 0.0015 0.0045 0.0007
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 1
Echinococcus granulosus geminin 0.0166 0.3393 1
Plasmodium falciparum protein kinase 7 0.0309 0.6557 0.6542
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.2128 1
Onchocerca volvulus 0.0015 0.0042 0.5
Onchocerca volvulus 0.0015 0.0042 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0665 0.1858
Loa Loa (eye worm) sugar transporter 0.0015 0.0042 0.0199
Plasmodium vivax hexose transporter 0.0109 0.2128 0.2094
Echinococcus multilocularis geminin 0.0166 0.3393 1
Entamoeba histolytica hypothetical protein 0.0043 0.0665 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0045 0.0012
Schistosoma mansoni hypothetical protein 0.0166 0.3393 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.8107
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0444 0.1927
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0787 0.3701
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0445 0.0404
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0398 0.1062
Leishmania major glucose transporter, lmgt2 0.0034 0.0454 0.8107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0429 0.2017
Brugia malayi Cam kinase protein 1 0.0033 0.0444 0.1927
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0444 0.1927
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0454 0.1973
Entamoeba histolytica hypothetical protein 0.0043 0.0665 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0444 0.2088
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0665 0.1858
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0243 0.395
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1199
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0445 0.0404
Onchocerca volvulus 0.0015 0.0042 0.5
Trypanosoma cruzi hexose transporter 0.0034 0.0454 0.8107
Onchocerca volvulus 0.0015 0.0042 0.5
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0454 0.8107
Loa Loa (eye worm) hypothetical protein 0.0049 0.0787 0.3701
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0033 0.0429 0.4414
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0045 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0787 0.3573
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0243 0.5182
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0033 0.0429 0.1855
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0243 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0429 0.2017
Onchocerca volvulus 0.0015 0.0042 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0045 0.0007
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0445 0.0617
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.6223
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0177 0.3622 0.5495
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0429 0.1154
Onchocerca volvulus 0.0015 0.0042 0.5
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.055 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0445 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.055 1
Schistosoma mansoni hypothetical protein 0.0043 0.0665 0.1858
Loa Loa (eye worm) hypothetical protein 0.0033 0.0444 0.2085
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.055 0.051
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 0.6223
Schistosoma mansoni hypothetical protein 0.0166 0.3393 1
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0243 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Leishmania major glucose transporter, lmgt1 0.0034 0.0454 0.8107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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