Detailed information for compound 1256213

Basic information

Technical information
  • TDR Targets ID: 1256213
  • Name: N-(2-furan-2-yl-2-morpholin-4-ylethyl)-4-meth oxybenzenesulfonamide
  • MW: 366.432 | Formula: C17H22N2O5S
  • H donors: 1 H acceptors: 2 LogP: 1.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)NCC(c1ccco1)N1CCOCC1
  • InChi: 1S/C17H22N2O5S/c1-22-14-4-6-15(7-5-14)25(20,21)18-13-16(17-3-2-10-24-17)19-8-11-23-12-9-19/h2-7,10,16,18H,8-9,11-13H2,1H3
  • InChiKey: USWFOCZAKVLXAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(2-furyl)-2-morpholino-ethyl]-4-methoxy-benzenesulfonamide
  • N-[2-(2-furyl)-2-morpholinoethyl]-4-methoxybenzenesulfonamide
  • N-(2-furan-2-yl-2-morpholin-4-yl-ethyl)-4-methoxy-benzenesulfonamide
  • NCGC00136103-01
  • G856-4924

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ap endonuclease 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
Cryptosporidium parvum conserved 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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 DNA (apurinic or apyrimidinic site) lyase 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi exodeoxyribonuclease III family protein 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase eta 0.0023 0.0069 0.0069
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0276 0.0276
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.006 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.006 0.006
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0069 0.001
Loa Loa (eye worm) hypothetical protein 0.006 0.0669 0.0669
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3774 0.3774
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0069 0.0069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0276 0.0276
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0069 0.0069
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0669 0.0669
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4338 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0069 0.001
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0069 0.0069
Toxoplasma gondii fructose-bisphospatase II 0.0635 1 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0236 0.3524 0.3486
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0069 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0276 0.0276
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0635 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0255 0.0255
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0236 0.3524 0.3486
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0276 0.0218
Leishmania major DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0069 0.001
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0069 0.001
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0069 0.0069
Echinococcus granulosus dna polymerase eta 0.0023 0.0069 0.0069
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0069 0.001
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0635 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0069 0.001
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0041 0.0359 0.0359
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0635 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0023 0.0069 0.0069
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0635 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0069 0.001
Leishmania major 0.0635 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.006 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.006 0.5
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0236 0.3524 0.3486
Toxoplasma gondii fructose-bisphospatase I 0.0236 0.3524 0.3486
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0276 0.0276
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0635 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0069 0.0023
Schistosoma mansoni ap endonuclease 0.0023 0.006 0.006
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0069 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0669 0.0669
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0276 0.0276
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0069 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Giardia lamblia DINP protein human, muc B family 0.0023 0.0069 1
Trypanosoma brucei unspecified product 0.0023 0.0069 0.001
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.006 0.006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0069 0.0069
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0635 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0069 0.001
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0359 0.0359
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0069 0.001
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0276 0.0276
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0069 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0276 0.0276
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.006 0.5
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0236 0.3524 0.3486
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0069 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0276 0.0276
Schistosoma mansoni DNA polymerase eta 0.0023 0.0069 0.0069
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.0359
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0069 0.001
Onchocerca volvulus 0.0286 0.4338 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0069 0.001
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0069 0.0023
Brugia malayi Pre-SET motif family protein 0.0251 0.3774 0.3774
Echinococcus granulosus dna polymerase kappa 0.0023 0.0069 0.0069
Brugia malayi Pre-SET motif family protein 0.0036 0.0276 0.0276
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0669 0.0669
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0069 0.0069
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0635 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0276 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0069 0.0069

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0053 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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