Detailed information for compound 762837

Basic information

Technical information
  • TDR Targets ID: 762837
  • Name: 2-ethoxy-3-[5-(2-methoxyphenyl)-1,2,4-oxadiaz ol-3-yl]-6-methylpyridine
  • MW: 311.335 | Formula: C17H17N3O3
  • H donors: 0 H acceptors: 3 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1nc(C)ccc1c1noc(n1)c1ccccc1OC
  • InChi: 1S/C17H17N3O3/c1-4-22-16-13(10-9-11(2)18-16)15-19-17(23-20-15)12-7-5-6-8-14(12)21-3/h5-10H,4H2,1-3H3
  • InChiKey: KHQRPUXFBUIVRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethoxy-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-pyridine
  • STOCK4S-66863
  • BAS 08315641
  • 2-Ethoxy-3-[5-(2-methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-6-methyl-pyridine
  • MLS000076072
  • SMR000014894
  • ZINC00498724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum phenylalanine--tRNA ligase 0.0155 0.0927 0.4386
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0173 0.0275
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0223 0.0429
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0635 0.2951
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.021 0.0549
Loa Loa (eye worm) hypothetical protein 0.0148 0.0879 0.3949
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0155 0.0927 0.4386
Loa Loa (eye worm) hypothetical protein 0.0057 0.0223 0.0613
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0106 0.0575 0.2658
Brugia malayi 6-phosphofructokinase 0.0114 0.0635 0.3066
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0106 0.0575 0.2658
Echinococcus granulosus 6 phosphofructokinase 0.0114 0.0635 0.1699
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0313 0.207 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0223 0.0429
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0313 0.207 1
Echinococcus multilocularis neuropeptide s receptor 0.0487 0.3327 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.0291 0.0622
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0223 0.1076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.021 0.0197
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0635 0.2951
Plasmodium falciparum phenylalanine--tRNA ligase 0.0124 0.0704 0.3292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0263 0.0555
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0207 0.1306 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0282 0.1848 0.8873
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0114 0.0635 0.2951
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0173 0.0359
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.0635 0.2707
Onchocerca volvulus Huntingtin homolog 0.0148 0.0879 1
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0313 0.207 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.021 0.1015
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0313 0.207 1
Brugia malayi Bromodomain containing protein 0.004 0.0101 0.049
Echinococcus granulosus neuropeptide receptor A26 0.0487 0.3327 1
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0635 0.2951
Loa Loa (eye worm) phosphofructokinase 0.0114 0.0635 0.2707
Echinococcus granulosus neuropeptide s receptor 0.0487 0.3327 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0223 0.0429
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0155 0.0927 0.2599
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0313 0.207 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.021 0.039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.021 0.0197
Schistosoma mansoni hypothetical protein 0.0304 0.2007 0.9673
Echinococcus multilocularis neuropeptide receptor A26 0.0487 0.3327 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0155 0.0927 0.4477
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0173 0.0275
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.0635 0.2435
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1412 1 1
Brugia malayi 6-phosphofructokinase 0.0114 0.0635 0.3066
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0173 0.0275
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0223 0.0264
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0313 0.207 1
Brugia malayi hypothetical protein 0.0148 0.0879 0.4247
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0635 0.2951
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0106 0.0575 0.2121
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0263 0.0555
Brugia malayi mbt repeat family protein 0.005 0.0173 0.0834
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0635 0.2951
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0155 0.0927 0.4191
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.0635 0.2707
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.0635 0.2435
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0313 0.207 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.1235 0.355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.021 0.0197
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0223 0.0429
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.021 0.039
Brugia malayi Bromodomain containing protein 0.0079 0.0379 0.1833
Brugia malayi follicle stimulating hormone receptor 0.0282 0.1848 0.8928
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0313 0.207 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.021 0.039
Onchocerca volvulus Huntingtin homolog 0.0148 0.0879 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.0091
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0635 0.2951
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0313 0.207 1
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0313 0.207 0.6122
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0313 0.207 1
Brugia malayi mbt repeat family protein 0.005 0.0173 0.0834
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1412 1 0.5
Loa Loa (eye worm) MBCTL1 0.0057 0.0223 0.0613
Loa Loa (eye worm) hypothetical protein 0.005 0.0173 0.0359
Echinococcus multilocularis 6 phosphofructokinase 0.0114 0.0635 0.1699
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.1235 0.355
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0173 0.0275
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0155 0.0927 0.3975
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0313 0.207 0.6122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.021 0.039
Loa Loa (eye worm) hypothetical protein 0.0074 0.0347 0.1245
Brugia malayi phosphofructokinase 0.0114 0.0635 0.3066
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0155 0.0927 0.2599
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0635 0.2951
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1412 1 1
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0155 0.0927 0.4386
Loa Loa (eye worm) hypothetical protein 0.0148 0.0879 0.3949
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0313 0.207 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0165
Loa Loa (eye worm) hypothetical protein 0.0313 0.207 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0313 0.207 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0106 0.0575 0.2658

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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