Detailed information for compound 1341921

Basic information

Technical information
  • TDR Targets ID: 1341921
  • Name: 5-[(4-bromophenyl)sulfonylmethyl]-N-(oxolan-2 -ylmethyl)furan-2-carboxamide
  • MW: 428.298 | Formula: C17H18BrNO5S
  • H donors: 1 H acceptors: 3 LogP: 2.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCC1CCCO1
  • InChi: 1S/C17H18BrNO5S/c18-12-3-6-15(7-4-12)25(21,22)11-14-5-8-16(24-14)17(20)19-10-13-2-1-9-23-13/h3-8,13H,1-2,9-11H2,(H,19,20)
  • InChiKey: GGGANVJWJLGSAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(4-bromophenyl)sulfonylmethyl]-N-(tetrahydrofuran-2-ylmethyl)furan-2-carboxamide
  • 5-[(4-bromophenyl)sulfonylmethyl]-N-(2-tetrahydrofuranylmethyl)-2-furancarboxamide
  • 5-[(4-bromophenyl)sulfonylmethyl]-N-(tetrahydrofurfuryl)-2-furamide
  • MLS000117537
  • SMR000094485

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.3312 0.3312
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0008 0.0355 0.0405
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.3312 0.3312
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0355 0.0405
Plasmodium vivax flap endonuclease 1, putative 0.0031 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.3312 0.3312
Brugia malayi nuclear receptor NHR-88 0.0015 0.3312 0.3312
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0015 0.3312 0.3783
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 1 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0008 0.0355 0.0355
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Schistosoma mansoni steroid hormone receptor ad4bp 0.0015 0.3312 0.3783
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.3312 0.3312
Schistosoma mansoni nuclear hormone receptor 0.0015 0.3312 0.3783
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.3312 0.3312
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 1 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.3312 0.3312
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.3312 0.3312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.3312 0.3312
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.3312 0.3312
Onchocerca volvulus Protein ultraspiracle homolog 0.0015 0.3312 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0008 0.0355 0.0355
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0355 0.0355
Brugia malayi hypothetical protein 0.0008 0.0355 0.0355
Brugia malayi hypothetical protein 0.0008 0.0355 0.0355
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.3312 0.3312
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 1 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.3312 0.3312
Entamoeba histolytica Flap nuclease, putative 0.0031 1 0.5
Plasmodium falciparum flap endonuclease 1 0.0031 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0015 0.3312 0.3783
Echinococcus granulosus FTZ F1 alpha 0.0015 0.3312 0.3312
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.3312 0.3312
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.3312 0.3312
Brugia malayi ecdysteroid receptor 0.0015 0.3312 0.3312
Brugia malayi nuclear receptor RXR 0.0008 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.3312 0.3312
Schistosoma mansoni thyroid hormone receptor 0.0015 0.3312 0.3783
Onchocerca volvulus Bile acid receptor homolog 0.0015 0.3312 1
Schistosoma mansoni flap endonuclease-1 0.0028 0.8755 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.3312 0.3312
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0015 0.3312 0.3783
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.3312 0.3312
Schistosoma mansoni coup transcription factor 0.0015 0.3312 0.3783
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0015 0.3312 0.3783
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.3312 0.3312
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.3312 0.3783
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.3312 0.3312
Schistosoma mansoni thyroid hormone receptor 0.0015 0.3312 0.3783
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0008 0.0355 0.0355
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.3312 0.3312
Brugia malayi nuclear hormone receptor 0.0015 0.3312 0.3312
Brugia malayi steroid hormone receptor 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0355 0.0355
Loa Loa (eye worm) flap endonuclease-1 0.0031 1 1
Echinococcus granulosus flap endonuclease 1 0.0031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0008 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.3312 0.3312
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0008 0.0355 0.0355
Echinococcus multilocularis flap endonuclease 1 0.0031 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0015 0.3312 0.3783
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.3312 0.3312
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.3312 0.3312
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.3312 0.3312
Schistosoma mansoni retinoic acid receptor RXR 0.0015 0.3312 0.3783
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0008 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.3312 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0008 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.3312 0.3312
Schistosoma mansoni RAR-like nuclear receptor 0.0015 0.3312 0.3783
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0015 0.3312 0.3312
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0008 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Onchocerca volvulus 0.0015 0.3312 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.3312 0.3312
Loa Loa (eye worm) hypothetical protein 0.0015 0.3312 0.3312
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 1 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 1 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.3312 0.3312
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0015 0.3312 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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