Detailed information for compound 1517993

Basic information

Technical information
  • TDR Targets ID: 1517993
  • Name: N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl ]furan-2-carboxamide
  • MW: 370.786 | Formula: C19H15ClN2O4
  • H donors: 2 H acceptors: 2 LogP: 3.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)NC(=O)c1ccco1)COc1ccccc1Cl
  • InChi: 1S/C19H15ClN2O4/c20-15-4-1-2-5-16(15)26-12-18(23)21-13-7-9-14(10-8-13)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
  • InChiKey: TVBUUQUWXNXWEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
  • N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-2-furamide
  • N-[4-[2-(2-chlorophenoxy)ethanoylamino]phenyl]furan-2-carboxamide
  • Oprea1_563510
  • ZINC00802337
  • BAS 06636628
  • Furan-2-carboxylic acid {4-[2-(2-chloro-phenoxy)-acetylamino]-phenyl}-amide

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
Homo sapiens polymerase (DNA directed) iota 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
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4534 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4534 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.4534 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1536 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 1 1
Entamoeba histolytica hypothetical protein 0.0043 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4534 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1536 0.5
Brugia malayi hypothetical protein 0.003 0.4534 0.4534
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1536 0.1536
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4534 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1536 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1536 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1536 0.1536
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1536 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.1536 0.5
Entamoeba histolytica hypothetical protein 0.0043 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1536 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.4534 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.4534 0.5
Entamoeba histolytica hypothetical protein 0.0043 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4534 1
Entamoeba histolytica hypothetical protein 0.0043 1 1
Leishmania major hypothetical protein, conserved 0.003 0.4534 1
Schistosoma mansoni hypothetical protein 0.0043 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0621 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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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