Detailed information for compound 729426

Basic information

Technical information
  • TDR Targets ID: 729426
  • Name: [4-(furan-2-carbonyl)piperazin-1-yl]-(4-propa n-2-yloxyphenyl)methanone
  • MW: 342.389 | Formula: C19H22N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1)C
  • InChi: 1S/C19H22N2O4/c1-14(2)25-16-7-5-15(6-8-16)18(22)20-9-11-21(12-10-20)19(23)17-4-3-13-24-17/h3-8,13-14H,9-12H2,1-2H3
  • InChiKey: SCEOQZSBIXKWEN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(furan-2-carbonyl)piperazin-1-yl]-(4-isopropoxyphenyl)methanone
  • [4-(2-furyl-oxomethyl)-1-piperazinyl]-(4-isopropoxyphenyl)methanone
  • (4-furan-2-ylcarbonylpiperazin-1-yl)-(4-propan-2-yloxyphenyl)methanone
  • STK241987
  • ZINC06747682

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
Echinococcus multilocularis tumor protein p63 0.034 1 1
Schistosoma mansoni thyroid hormone receptor 0.0137 0.3469 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.3469 0.3446
Schistosoma mansoni cellular tumor antigen P53 0.005 0.067 0.1847
Brugia malayi Pre-SET motif family protein 0.0209 0.5802 1
Entamoeba histolytica hypothetical protein 0.0036 0.0234 0.5
Trichomonas vaginalis set domain proteins, putative 0.0238 0.6732 0.5
Plasmodium vivax SET domain protein, putative 0.003 0.0036 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.3142 0.3118
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0036 0.0036
Onchocerca volvulus 0.005 0.067 0.0947
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.3142 0.3142
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0682 0.1122
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0234 0.0199
Schistosoma mansoni hypothetical protein 0.0127 0.3142 0.9048
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0172 0.0237
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.5802 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0234 0.0577
Loa Loa (eye worm) hypothetical protein 0.0034 0.0172 0.0237
Entamoeba histolytica hypothetical protein 0.0036 0.0234 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0682 0.1122
Entamoeba histolytica hypothetical protein 0.0036 0.0234 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0682 0.1122
Loa Loa (eye worm) hypothetical protein 0.005 0.067 0.11
Brugia malayi hypothetical protein 0.0036 0.0234 0.0344
Schistosoma mansoni thyroid hormone receptor 0.0137 0.3469 1
Onchocerca volvulus 0.0238 0.6732 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0234 0.0234
Schistosoma mansoni hypothetical protein 0.0034 0.0172 0.0398
Schistosoma mansoni hypothetical protein 0.0036 0.0234 0.0577
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0036 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0234 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0682 0.1122

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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

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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