Detailed information for compound 1484376

Basic information

Technical information
  • TDR Targets ID: 1484376
  • Name: 4-[4-(4-chlorophenyl)sulfonyl-2-furan-2-yl-1, 3-oxazol-5-yl]morpholine
  • MW: 394.829 | Formula: C17H15ClN2O5S
  • H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCOCC1)c1ccco1
  • InChi: 1S/C17H15ClN2O5S/c18-12-3-5-13(6-4-12)26(21,22)16-17(20-7-10-23-11-8-20)25-15(19-16)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
  • InChiKey: LAHHCZHSXZLMBT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(4-chlorophenyl)sulfonyl-2-(2-furyl)oxazol-5-yl]morpholine
  • 4-[4-(4-chlorophenyl)sulfonyl-2-(2-furyl)-5-oxazolyl]morpholine
  • 4-[4-(4-Chloro-benzenesulfonyl)-2-furan-2-yl-oxazol-5-yl]-morpholine
  • BAS 02537277
  • AG-690/09154040
  • MLS000718816
  • SMR000291084
  • ZINC00947260

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Trypanosoma congolense 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Schistosoma mansoni ap endonuclease 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trichomonas vaginalis ap endonuclease, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium falciparum 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Theileria parva 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
Trichomonas vaginalis ap endonuclease, putative 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Onchocerca volvulus 0.0297 0.1239 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0106 0.0093
Mycobacterium tuberculosis Possible oxidoreductase 0.0297 0.1239 0.1416
Brugia malayi amine oxidase, flavin-containing family protein 0.0297 0.1239 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0048 0.0282
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0297 0.1239 0.1227
Echinococcus multilocularis 0.0297 0.1239 0.1227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0159 0.0168
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0014 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0014 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0106 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0297 0.1239 1
Entamoeba histolytica hypothetical protein 0.0043 0.0106 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0297 0.1239 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2255 1 1
Plasmodium vivax hypothetical protein, conserved 0.0297 0.1239 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0106 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0048 0.0282
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0297 0.1239 1
Mycobacterium ulcerans oxidoreductase 0.0297 0.1239 0.1227
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0048 0.0282
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0159 0.0146
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0048 0.0282
Mycobacterium tuberculosis Conserved hypothetical protein 0.0297 0.1239 0.1416
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0159 0.0146
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0297 0.1239 0.1227
Toxoplasma gondii histone lysine-specific demethylase 0.0297 0.1239 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0048 0.0282
Loa Loa (eye worm) hypothetical protein 0.003 0.0048 0.0282
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0048 1
Brugia malayi hypothetical protein 0.0043 0.0106 0.0859
Trypanosoma cruzi UDP-galactopyranose mutase 0.0297 0.1239 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1958 0.8673 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0297 0.1239 1
Schistosoma mansoni hypothetical protein 0.0043 0.0106 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0014 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0159 0.0146
Plasmodium vivax hypothetical protein, conserved 0.0297 0.1239 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0159 0.0168
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Mycobacterium ulcerans dehydrogenase 0.0297 0.1239 0.1227
Entamoeba histolytica hypothetical protein 0.0043 0.0106 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0297 0.1239 0.1227
Loa Loa (eye worm) hypothetical protein 0.0297 0.1239 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0014 0.5
Mycobacterium ulcerans monoamine oxidase 0.0297 0.1239 0.1227
Leishmania major UDP-galactopyranose mutase 0.0297 0.1239 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0159 0.0146
Entamoeba histolytica hypothetical protein 0.0043 0.0106 1
Brugia malayi hypothetical protein 0.003 0.0048 0.0389
Plasmodium falciparum protoporphyrinogen oxidase 0.0297 0.1239 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2255 1 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0297 0.1239 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0297 0.1239 0.1227
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0159 0.1187
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0014 0.011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0159 0.1285
Echinococcus granulosus protoporphyrinogen oxidase 0.1958 0.8673 1
Brugia malayi SWIRM domain containing protein 0.0297 0.1239 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0048 0.0282
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0297 0.1239 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0159 0.0146
Schistosoma mansoni amine oxidase 0.0297 0.1239 0.1227
Echinococcus granulosus lysine specific histone demethylase 1A 0.0297 0.1239 0.1416
Schistosoma mansoni amine oxidase 0.0297 0.1239 0.1227
Brugia malayi hypothetical protein 0.0297 0.1239 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0106 0.0107
Echinococcus granulosus lysine specific histone demethylase 1A 0.0297 0.1239 0.1416
Echinococcus multilocularis protoporphyrinogen oxidase 0.2255 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0048 0.0282
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2255 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0014 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 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) 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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