Detailed information for compound 1121248

Basic information

Technical information
  • TDR Targets ID: 1121248
  • Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo propyl]furan-2-carboxamide
  • MW: 345.368 | Formula: C18H20FN3O3
  • H donors: 1 H acceptors: 2 LogP: 1.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1F)CCNC(=O)c1ccco1
  • InChi: 1S/C18H20FN3O3/c19-14-4-1-2-5-15(14)21-9-11-22(12-10-21)17(23)7-8-20-18(24)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24)
  • InChiKey: FQDVCOQTKPULFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]furan-2-carboxamide
  • N-[3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-2-furancarboxamide
  • N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-keto-propyl]-2-furamide
  • T5746538

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
Entamoeba histolytica hypothetical protein 0.0041 0.0296 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.4612 1
Schistosoma mansoni hypothetical protein 0.0035 0.0065 0.0142
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.3322 0.3858
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0065 0.0076
Brugia malayi hypothetical protein 0.0041 0.0296 0.0344
Brugia malayi Cytochrome P450 family protein 0.0063 0.1256 0.1459
Entamoeba histolytica hypothetical protein 0.0041 0.0296 0.5
Loa Loa (eye worm) TAR-binding protein 0.0141 0.4612 0.5356
Schistosoma mansoni hypothetical protein 0.0035 0.0065 0.0142
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0065 0.0142
Echinococcus multilocularis tar DNA binding protein 0.0141 0.4612 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.1256 0.1459
Loa Loa (eye worm) RNA binding protein 0.0141 0.4612 0.5356
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1815 0.2108
Loa Loa (eye worm) hypothetical protein 0.0035 0.0065 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0141 0.4612 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0065 0.0142
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.8611 1
Entamoeba histolytica hypothetical protein 0.0041 0.0296 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.0296 0.5
Plasmodium vivax SET domain protein, putative 0.0034 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.1815 0.2108
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0296 0.0642
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0296 0.0642
Brugia malayi RNA binding protein 0.0141 0.4612 0.5356
Trichomonas vaginalis set domain proteins, putative 0.0267 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.4612 1
Echinococcus granulosus tar DNA binding protein 0.0141 0.4612 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.3322 0.3858
Schistosoma mansoni tar DNA-binding protein 0.0141 0.4612 1
Schistosoma mansoni hypothetical protein 0.0076 0.1815 0.3935
Brugia malayi Pre-SET motif family protein 0.0235 0.8611 1
Schistosoma mansoni hypothetical protein 0.0041 0.0296 0.0642
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0065 0.0076
Schistosoma mansoni hypothetical protein 0.0035 0.0065 0.0142
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0065 0.0142
Echinococcus multilocularis GPCR, family 2 0.0035 0.0065 0.0142
Brugia malayi TAR-binding protein 0.0141 0.4612 0.5356
Schistosoma mansoni hypothetical protein 0.0035 0.0065 0.0142
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0296 0.0642
Schistosoma mansoni tar DNA-binding protein 0.0141 0.4612 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.4612 0.5356
Echinococcus granulosus GPCR family 2 0.0035 0.0065 0.0142
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.3322 0.3858
Loa Loa (eye worm) hypothetical protein 0.0111 0.3322 0.3858
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0065 0.0076
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0065 0.0142
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.4612 0.5356

Activities

Activity type Activity value Assay description Source 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

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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