Detailed information for compound 873375

Basic information

Technical information
  • TDR Targets ID: 873375
  • Name: ethyl 2-[[(1-acetylpiperidin-4-yl)-(furan-2-y lmethyl)carbamoyl]amino]benzoate
  • MW: 413.467 | Formula: C22H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.53 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccccc1NC(=O)N(C1CCN(CC1)C(=O)C)Cc1ccco1
  • InChi: 1S/C22H27N3O5/c1-3-29-21(27)19-8-4-5-9-20(19)23-22(28)25(15-18-7-6-14-30-18)17-10-12-24(13-11-17)16(2)26/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,28)
  • InChiKey: CZUVSTYJWMNXJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[(1-acetyl-4-piperidyl)-(2-furylmethyl)carbamoyl]amino]benzoate
  • 2-[[[(1-acetyl-4-piperidinyl)-(2-furylmethyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
  • 2-[[(1-acetyl-4-piperidyl)-(2-furylmethyl)carbamoyl]amino]benzoic acid ethyl ester
  • ethyl 2-[[(1-ethanoylpiperidin-4-yl)-(furan-2-ylmethyl)carbamoyl]amino]benzoate
  • NCGC00123798-01
  • E641-0459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.042 0.3365 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus granulosus jun protein 0.0517 0.4231 0.4231
Echinococcus multilocularis nuclear factor of activated T cells 5 0.1163 1 1
Echinococcus multilocularis Ankyrin 0.0111 0.0606 0.0606
Brugia malayi Uncoordinated protein 44 0.0111 0.0602 0.1423
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0111 0.0602 0.0602
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Schistosoma mansoni jun-related protein 0.042 0.3365 1
Echinococcus multilocularis jun protein 0.0517 0.4231 0.4231
Echinococcus multilocularis netrin receptor unc 5 0.0111 0.0602 0.0602
Schistosoma mansoni hypothetical protein 0.0111 0.0602 0.1789
Brugia malayi Death domain containing protein 0.0111 0.0602 0.1423
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0517 0.4231 0.4231
Schistosoma mansoni netrin receptor unc5 0.0111 0.0602 0.1789
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0517 0.4231 0.4231
Brugia malayi bZIP transcription factor family protein 0.0517 0.4231 1
Brugia malayi Protein kinase domain containing protein 0.0111 0.0602 0.1423
Echinococcus granulosus death domain containing protein 0.0111 0.0602 0.0602
Brugia malayi Immunoglobulin I-set domain containing protein 0.0111 0.0602 0.1423
Echinococcus granulosus Ankyrin 0.0111 0.0606 0.0606
Onchocerca volvulus 0.0406 0.3239 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0606 0.0013
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0503 0.4104 1
Schistosoma mansoni ankyrin 23/unc44 0.0111 0.0602 0.1789
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0111 0.0602 0.0602
Echinococcus granulosus netrin receptor unc 5 0.0111 0.0602 0.0602
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0111 0.0606 0.1802
Brugia malayi hypothetical protein 0.0406 0.3239 0.7655

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (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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