Detailed information for compound 1242568

Basic information

Technical information
  • TDR Targets ID: 1242568
  • Name: N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxam ide
  • MW: 237.27 | Formula: C13H16FNO2
  • H donors: 1 H acceptors: 1 LogP: 2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCO1)NCCc1ccc(cc1)F
  • InChi: 1S/C13H16FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
  • InChiKey: SHFUGNOJFQLWKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-fluorophenyl)ethyl]tetrahydrofuran-2-carboxamide
  • N-[2-(4-fluorophenyl)ethyl]-2-tetrahydrofurancarboxamide
  • BAS 06979671
  • Tetrahydro-furan-2-carboxylic acid [2-(4-fluoro-phenyl)-ethyl]-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8179 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.8854 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.5362 0.6162
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3713 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0839 0.0754
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2092 0.3819
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Schistosoma mansoni cpg binding protein 0.0036 0.4619 0.4619
Schistosoma mansoni cpg binding protein 0.0034 0.4331 0.4331
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.1265 0.1796
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2092 0.173
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.4331 0.4758
Echinococcus multilocularis GPCR, family 2 0.0019 0.2092 0.3819
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3713 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.2092 0.2092
Echinococcus granulosus cpg binding protein 0.0036 0.4619 1
Schistosoma mansoni hypothetical protein 0.0013 0.1265 0.1265
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.042 0.5
Brugia malayi hypothetical protein 0.003 0.3713 0.3931
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Brugia malayi hypothetical protein 0.0019 0.214 0.1794
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.3713 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5362 0.6172
Schistosoma mansoni hypothetical protein 0.0019 0.2092 0.2092
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.3713 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2092 0.3819
Loa Loa (eye worm) hypothetical protein 0.0019 0.2092 0.1707
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8179 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.2092 0.3819
Leishmania major hypothetical protein, conserved 0.003 0.3713 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2092 0.173
Schistosoma mansoni hypothetical protein 0.0041 0.5362 0.5362
Loa Loa (eye worm) hypothetical protein 0.003 0.3713 0.3915
Loa Loa (eye worm) hypothetical protein 0.006 0.8179 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3713 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0839 0.0754
Schistosoma mansoni cpg binding protein 0.0036 0.4619 0.4619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.042 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.042 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.2092 0.2092
Echinococcus multilocularis cpg binding protein 0.0036 0.4619 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2092 0.3819
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3713 0.5
Brugia malayi CXXC zinc finger family protein 0.0034 0.4331 0.4772
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2092 0.1707
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.1265 0.1796
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8179 1
Onchocerca volvulus 0.0034 0.4331 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2092 0.3819
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.2092 0.2092
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 56.2341 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 150.0297 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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