Detailed information for compound 1444392

Basic information

Technical information
  • TDR Targets ID: 1444392
  • Name: 4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol -3-yl]pyridine
  • MW: 251.283 | Formula: C15H13N3O
  • H donors: 0 H acceptors: 3 LogP: 3.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cc1onc(n1)c1ccncc1
  • InChi: 1S/C15H13N3O/c1-11-2-4-12(5-3-11)10-14-17-15(18-19-14)13-6-8-16-9-7-13/h2-9H,10H2,1H3
  • InChiKey: MMXGKPKSTJGZOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-(4-methylbenzyl)-1,2,4-oxadiazol-3-yl]pyridine
  • SMR000292927
  • STK321925
  • ZINC00472101
  • MLS000662395

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0367 0.5013 0.5013
Echinococcus granulosus tar DNA binding protein 0.0076 0.0909 0.0909
Brugia malayi RNA binding protein 0.0076 0.0909 0.0909
Trypanosoma brucei C-8 sterol isomerase, putative 0.0367 0.5013 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0275 0.3717 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.2478 0.2478
Brugia malayi vesicular acetylcholine transporter unc-17 0.022 0.2941 0.2941
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0909 0.0909
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0909 0.0909
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0367 0.5013 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0719 1 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0275 0.3717 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0909 0.0909
Loa Loa (eye worm) RNA binding protein 0.0076 0.0909 0.0909
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0909 0.0909
Loa Loa (eye worm) hypothetical protein 0.0367 0.5013 0.5013
Brugia malayi TAR-binding protein 0.0076 0.0909 0.0909
Echinococcus granulosus dihydrofolate reductase 0.0719 1 1
Chlamydia trachomatis dihydrofolate reductase 0.0719 1 0.5
Brugia malayi Dihydrofolate reductase 0.0719 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0909 0.0909
Echinococcus multilocularis dihydrofolate reductase 0.0719 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0275 0.3717 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.022 0.2941 0.2941
Leishmania major C-8 sterol isomerase-like protein 0.0367 0.5013 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0909 0.0909
Loa Loa (eye worm) dihydrofolate reductase 0.0719 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.022 0.2941 0.2941
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0909 0.0909
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.022 0.2941 0.2941
Schistosoma mansoni dihydrofolate reductase 0.0719 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.022 0.2941 0.2941
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0719 1 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0909 0.0909
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.022 0.2941 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0909 0.0909
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0719 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) 25.929 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: 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
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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