Detailed information for compound 1512402

Basic information

Technical information
  • TDR Targets ID: 1512402
  • Name: 4-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4,5-dihy dro-1,2-oxazol-3-yl]pyridine
  • MW: 292.292 | Formula: C16H12N4O2
  • H donors: 0 H acceptors: 3 LogP: 1.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)c1nnc(o1)C1ON=C(C1)c1ccncc1
  • InChi: 1S/C16H12N4O2/c1-2-4-12(5-3-1)15-18-19-16(21-15)14-10-13(20-22-14)11-6-8-17-9-7-11/h1-9,14H,10H2
  • InChiKey: QRBNIPXWAZBCKK-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-4,5-dihydroisoxazol-3-yl]pyridine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1782 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0342 0.4361 1
Mycobacterium ulcerans cell division protein FtsZ 0.0342 0.4361 1
Brugia malayi Cell division protein ftsZ 0.0169 0.2105 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0201 0.5
Schistosoma mansoni Smad4 0.001 0.0034 0.1677
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0034 0.1677
Brugia malayi Smad1 0.001 0.0034 0.0161
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0201 0.1131
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1782 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0201 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0034 0.1677
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0201 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0201 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0034 0.1677
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0201 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0034 0.0161
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0342 0.4361 1
Echinococcus granulosus smad 0.001 0.0034 0.1677
Schistosoma mansoni smad 0.001 0.0034 0.1677
Treponema pallidum cell division protein FtsZ 0.0342 0.4361 1
Brugia malayi MH1 domain containing protein 0.001 0.0034 0.0161
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0201 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0034 0.019
Schistosoma mansoni smad1 5 8 and 0.001 0.0034 0.1677
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0201 0.0957
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0201 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0201 0.0462
Schistosoma mansoni smad1 5 8 and 0.001 0.0034 0.1677
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0034 0.1677
Mycobacterium leprae cell division protein FtsZ 0.0342 0.4361 1
Brugia malayi MH2 domain containing protein 0.001 0.0034 0.0161
Loa Loa (eye worm) Smad1 0.001 0.0034 0.019
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0034 0.1677
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0201 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0034 0.0161
Schistosoma mansoni ap endonuclease 0.0023 0.0201 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0201 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.1782 0.8466
Schistosoma mansoni smad1 5 8 and 0.001 0.0034 0.1677
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0201 0.0462
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0201 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0201 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0034 0.019
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0201 1
Brugia malayi Cell division protein ftsZ 0.0164 0.2043 0.9709
Echinococcus granulosus Smad4 0.001 0.0034 0.1677
Echinococcus multilocularis Smad4 0.001 0.0034 0.1677
Echinococcus multilocularis smad 0.001 0.0034 0.1677
Schistosoma mansoni ap endonuclease 0.0023 0.0201 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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