Detailed information for compound 1437793

Basic information

Technical information
  • TDR Targets ID: 1437793
  • Name: 2-(2-chloro-6-fluorophenyl)-N-[4-(oxolan-2-yl methylsulfamoyl)phenyl]acetamide
  • MW: 426.89 | Formula: C19H20ClFN2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(F)cccc1Cl)Nc1ccc(cc1)S(=O)(=O)NCC1CCCO1
  • InChi: 1S/C19H20ClFN2O4S/c20-17-4-1-5-18(21)16(17)11-19(24)23-13-6-8-15(9-7-13)28(25,26)22-12-14-3-2-10-27-14/h1,4-9,14,22H,2-3,10-12H2,(H,23,24)
  • InChiKey: PKHGYKLZBDFCHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-chloro-6-fluoro-phenyl)-N-[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]acetamide
  • 2-(2-chloro-6-fluorophenyl)-N-[4-(2-tetrahydrofuranylmethylsulfamoyl)phenyl]acetamide
  • 2-(2-chloro-6-fluoro-phenyl)-N-[4-(tetrahydrofurfurylsulfamoyl)phenyl]acetamide
  • 2-(2-chloro-6-fluoro-phenyl)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethanamide
  • MLS000716309
  • SMR000277826
  • BAS 09535912
  • ST5287151

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Brugia malayi exodeoxyribonuclease III family 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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
Plasmodium berghei 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trichomonas vaginalis ap 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
Trichomonas vaginalis ap endonuclease, 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
Neospora caninum hypothetical 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Trypanosoma congolense 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.5447 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0165 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0583 0.1292
Schistosoma mansoni hypothetical protein 0.0205 1 1
Leishmania major hypothetical protein, conserved 0.0083 0.3399 1
Schistosoma mansoni hypothetical protein 0.0038 0.0997 0.0846
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0583 0.1292
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0997 0.0846
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.5447 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0583 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0165 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0583 0.0791
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.3399 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0997 0.0846
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0997 0.1575
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0165 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0583 0.1292
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0583 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0165 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.3399 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.3387 0.6219
Schistosoma mansoni hypothetical protein 0.0082 0.3387 0.3276
Schistosoma mansoni hypothetical protein 0.0038 0.0997 0.0846
Schistosoma mansoni hypothetical protein 0.0038 0.0997 0.0846
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0997 0.0846
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0997 0.1831
Mycobacterium tuberculosis Conserved protein 0.0083 0.3399 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.5447 1
Mycobacterium ulcerans hypothetical protein 0.0083 0.3399 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.0997 0.0846
Treponema pallidum mcbG protein 0.0083 0.3399 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0997 0.1831
Loa Loa (eye worm) hypothetical protein 0.012 0.5447 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0583 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0997 0.1575
Loa Loa (eye worm) hypothetical protein 0.0082 0.3387 0.61
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0165 0.0304
Schistosoma mansoni hypothetical protein 0.0038 0.0997 0.0846
Brugia malayi hypothetical protein 0.003 0.0583 0.1071
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0165 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0583 0.1292
Echinococcus granulosus GPCR family 2 0.0038 0.0997 0.0846
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.3399 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0997 0.0846
Leishmania major hypothetical protein, conserved 0.0083 0.3399 1
Echinococcus multilocularis geminin 0.0205 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0583 0.1292

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.058 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3769 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 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) 44.6684 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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