Detailed information for compound 1446458

Basic information

Technical information
  • TDR Targets ID: 1446458
  • Name: 3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazo l-3-yl]pyridine
  • MW: 267.283 | Formula: C15H13N3O2
  • H donors: 0 H acceptors: 3 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1Cc1onc(n1)c1cccnc1
  • InChi: 1S/C15H13N3O2/c1-19-13-7-3-2-5-11(13)9-14-17-15(18-20-14)12-6-4-8-16-10-12/h2-8,10H,9H2,1H3
  • InChiKey: QKFHLXDJECULQJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[5-(2-methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
  • ZINC00235539
  • STK322823
  • 3-[5-(2-Methoxy-benzyl)-[1,2,4]oxadiazol-3-yl]-pyridine
  • MLS000762816
  • SMR000439768

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0743 0.164 0.1633
Loa Loa (eye worm) hypothetical protein 0.0063 0.0038 0.003
Loa Loa (eye worm) hypothetical protein 0.0066 0.0044 0.0036
Echinococcus multilocularis lamin dm0 0.0137 0.0211 0.0203
Schistosoma mansoni hypothetical protein 0.0168 0.0284 0.0281
Schistosoma mansoni RAR-like nuclear receptor 0.0051 0.0008 0.0005
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0167 0.0159
Schistosoma mansoni thyroid hormone receptor 0.0051 0.0008 0.0005
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.0598 0.049
Onchocerca volvulus Putative GMP reductase 0.1894 0.4356 1
Schistosoma mansoni intermediate filament proteins 0.0137 0.0211 0.0208
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0114 0.0111
Entamoeba histolytica hypothetical protein 0.0147 0.0235 1
Onchocerca volvulus Huntingtin homolog 0.0743 0.164 0.3754
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0073 0.0061 0.0053
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0126 0.0118
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.4288 1 1
Brugia malayi MH2 domain containing protein 0.0118 0.0167 0.0159
Loa Loa (eye worm) intermediate filament protein 0.0137 0.0211 0.0203
Loa Loa (eye worm) hypothetical protein 0.0101 0.0126 0.0118
Schistosoma mansoni steroid hormone receptor ad4bp 0.0051 0.0008 0.0005
Schistosoma mansoni lamin 0.0137 0.0211 0.0208
Entamoeba histolytica hypothetical protein 0.0147 0.0235 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0051 0.0043
Brugia malayi cytoplasmic intermediate filament protein 0.0073 0.0061 0.0053
Brugia malayi hypothetical protein 0.0147 0.0235 0.0226
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0066 0.0044 0.0036
Schistosoma mansoni hypothetical protein 0.0243 0.0462 0.0459
Echinococcus granulosus lamin dm0 0.0137 0.0211 0.0203
Onchocerca volvulus 0.0137 0.0211 0.0466
Echinococcus granulosus microtubule associated protein 2 0.0697 0.1533 0.1526
Loa Loa (eye worm) IMP dehydrogenase 1 0.4288 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4288 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0114 0.0105
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0147 0.0235 0.0226
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0051 0.0008 0.0005
Echinococcus granulosus survival motor neuron protein 1 0.1192 0.2698 0.2692
Loa Loa (eye worm) hypothetical protein 0.1192 0.2698 0.2692
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.4288 1 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1894 0.4356 0.4204
Echinococcus multilocularis survival motor neuron protein 1 0.1192 0.2698 0.2692
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.1894 0.4356 0.4351
Schistosoma mansoni hypothetical protein 0.0147 0.0235 0.0232
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.2393 0.5533 0.5412
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0051 0.0008 0.0005
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0114 0.0105
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0114 0.0105
Trypanosoma cruzi GMP reductase 0.4288 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0147 0.0235 0.0226
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.014 0.0219 0.0211
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.0598 0.049
Brugia malayi Steroid receptor seven-up type 2 0.014 0.0219 0.0211
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.0269 0.0261
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.4288 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0038 0.003
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4288 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0126 0.0118
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.4288 1 1
Brugia malayi hypothetical protein 0.0743 0.164 0.1633
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0243 0.0462 0.0454
Schistosoma mansoni transcription factor LCR-F1 0.0147 0.0235 0.0232
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0598 0.0589
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Onchocerca volvulus 0.0137 0.0211 0.0466
Echinococcus multilocularis musashi 0.0137 0.0211 0.0203
Brugia malayi Intermediate filament tail domain containing protein 0.0137 0.0211 0.0203
Onchocerca volvulus 0.0243 0.0462 0.1043
Schistosoma mansoni nuclear hormone receptor 0.0051 0.0008 0.0005
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0114 0.0104
Schistosoma mansoni alpha-glucosidase 0.0139 0.0216 0.0213
Loa Loa (eye worm) hypothetical protein 0.0116 0.0163 0.0155
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.4288 1 0.5
Brugia malayi hypothetical protein 0.1192 0.2698 0.2692
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.1894 0.4356 0.4351
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.2393 0.5533 0.2085
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0224 0.0112
Entamoeba histolytica hypothetical protein 0.0147 0.0235 1
Onchocerca volvulus Huntingtin homolog 0.0743 0.164 0.3754
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0211 0.0203
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4288 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Echinococcus multilocularis lamin 0.0137 0.0211 0.0203
Brugia malayi GMP reductase 0.1894 0.4356 0.4351
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0066 0.0044 0.0036
Schistosoma mansoni coup transcription factor 0.0051 0.0008 0.0005
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.4288 1 1
Loa Loa (eye worm) hypothetical protein 0.0743 0.164 0.1633
Schistosoma mansoni lamin 0.0137 0.0211 0.0208
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0269 0.0261
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0269 0.0261
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.014 0.0219 0.0211
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0008 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0126 0.0118
Loa Loa (eye worm) follicle stimulating hormone receptor 0.047 0.0996 0.0989
Echinococcus granulosus intermediate filament protein 0.0137 0.0211 0.0203
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.4288 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0224 0.0214
Echinococcus multilocularis microtubule associated protein 2 0.0697 0.1533 0.1526
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0224 0.0112
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0114 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.4288 1 1
Leishmania major guanosine monophosphate reductase 0.4288 1 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.0216 0.0213
Brugia malayi follicle stimulating hormone receptor 0.047 0.0996 0.0989
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.4288 1 1
Onchocerca volvulus 0.0093 0.0108 0.023
Entamoeba histolytica hypothetical protein 0.0147 0.0235 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0114 0.0104
Schistosoma mansoni hypothetical protein 0.0168 0.0284 0.0281
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0114 0.0105
Echinococcus multilocularis geminin 0.0168 0.0284 0.0276
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0114 0.0242
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0051 0.0008 0.0005
Loa Loa (eye worm) nuclear hormone receptor 0.0114 0.0156 0.0148
Brugia malayi intermediate filament protein 0.0137 0.0211 0.0203
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0137 0.0211 0.0203
Echinococcus granulosus geminin 0.0168 0.0284 0.0276
Echinococcus granulosus lamin 0.0137 0.0211 0.0203
Schistosoma mansoni microtubule-associated protein tau 0.0697 0.1533 0.1531
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0598 0.0589
Trypanosoma brucei GMP reductase 0.4288 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.4288 1 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.4288 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0167 0.0159
Schistosoma mansoni survival motor neuron protein 0.0243 0.0462 0.0459
Schistosoma mansoni hypothetical protein 0.0069 0.0051 0.0048
Loa Loa (eye worm) hypothetical protein 0.0069 0.0051 0.0043
Toxoplasma gondii IMP dehydrogenas 0.4288 1 1
Giardia lamblia Kinase, PLK 0.0095 0.0114 0.5
Trypanosoma cruzi GMP reductase 0.4288 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0051 0.0008 0.0005
Loa Loa (eye worm) GMP reductase 0.1894 0.4356 0.4351
Schistosoma mansoni thyroid hormone receptor 0.0051 0.0008 0.0005
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.0269 0.0261
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.4098 0.9551 0.9551
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.4288 1 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.0269 0.0261
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0051 0.0008 0.0005
Schistosoma mansoni retinoic acid receptor RXR 0.0051 0.0008 0.0005
Loa Loa (eye worm) hypothetical protein 0.0134 0.0205 0.0197

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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