Detailed information for compound 1364494

Basic information

Technical information
  • TDR Targets ID: 1364494
  • Name: [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl] methyl]piperazin-1-yl]-furan-2-ylmethanone
  • MW: 356.351 | Formula: C18H17FN4O3
  • H donors: 0 H acceptors: 3 LogP: 1.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)N1CCN(CC1)Cc1nnc(o1)c1ccccc1F
  • InChi: 1S/C18H17FN4O3/c19-14-5-2-1-4-13(14)17-21-20-16(26-17)12-22-7-9-23(10-8-22)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2
  • InChiKey: MFXWCRGNYZHDBR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(2-furyl)methanone
  • [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperazinyl]-(2-furyl)methanone
  • [4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-furan-2-yl-methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 1 0.5
Trichomonas vaginalis ferritin, putative 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 1 1
Onchocerca volvulus 0.0012 1 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 1 1
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0 0.5
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0 0.5
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 1 0.5
Brugia malayi nuclear hormone receptor 0.0012 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 1 0.5
Brugia malayi steroid hormone receptor 0.0012 1 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 1 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 1 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 1 1
Schistosoma mansoni coup transcription factor 0.0012 1 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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