Detailed information for compound 1350186

Basic information

Technical information
  • TDR Targets ID: 1350186
  • Name: furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin- 1-yl)methanone
  • MW: 326.391 | Formula: C13H14N2O4S2
  • H donors: 0 H acceptors: 3 LogP: 1.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)c1cccs1
  • InChi: 1S/C13H14N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
  • InChiKey: DZSMVTSUROBTNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-furyl-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone
  • 2-furyl-[4-(2-thienylsulfonyl)-1-piperazinyl]methanone
  • ZINC00212586
  • 1-(2-furoyl)-4-(2-thienylsulfonyl)piperazine
  • MLS000062860
  • SMR000073789
  • Oprea1_805695
  • EU-0087912

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.118 0.118
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.118 0.118
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.3333 0.3333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.118 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.118 0.118
Brugia malayi steroid hormone receptor 0.0012 0.118 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.118 0.118
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.3333 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.118 0.118
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.118 0.118
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.3333 0.3333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.118 0.118
Schistosoma mansoni coup transcription factor 0.0012 0.118 0.118
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.118 0.118
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.3333 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.3333 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.118 0.118
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.118 0.118
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.118 0.118
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.3333 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.3333 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.3333 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.3333 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.7583 0.7583
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.118 0.118
Entamoeba histolytica hypothetical protein 0.0043 0.7583 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.118 0.118
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.118 0.118
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.118 0.118
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Schistosoma mansoni hypothetical protein 0.0043 0.7583 0.7583
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.7583 0.7583
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Echinococcus granulosus FTZ F1 alpha 0.0012 0.118 0.118
Toxoplasma gondii exonuclease III APE 0.0023 0.3333 0.5
Onchocerca volvulus 0.0012 0.118 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.118 0.118
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.118 0.118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.118 0.118
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.3333 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.118 0.118
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.118 0.118
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.3333 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.118 0.118
Entamoeba histolytica hypothetical protein 0.0043 0.7583 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.118 0.118
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.3333 0.3333
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.118 0.118
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.118 0.118
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.118 0.118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Brugia malayi nuclear hormone receptor 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.118 0.118
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.118 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.118 0.118
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.3333 0.3333
Entamoeba histolytica hypothetical protein 0.0043 0.7583 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.118 0.118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.118 0.118
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.118 0.118
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.3333 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.118 0.118
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.7583 0.7583
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.118 0.118
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.3333 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.118 0.118
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.118 0.5
Brugia malayi hypothetical protein 0.0043 0.7583 0.7583
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.118 0.118
Brugia malayi ecdysteroid receptor 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Entamoeba histolytica hypothetical protein 0.0043 0.7583 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.118 0.118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.3333 0.3333
Schistosoma mansoni ap endonuclease 0.0023 0.3333 0.3333
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.118 0.118
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.3333 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.118 0.118
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.3333 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0021 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) 0.8913 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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