Detailed information for compound 1336610

Basic information

Technical information
  • TDR Targets ID: 1336610
  • Name: N-cyclooctyl-3-methyl-2-oxo-1,3-benzoxazole-6 -sulfonamide
  • MW: 338.422 | Formula: C16H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)NC1CCCCCCC1
  • InChi: 1S/C16H22N2O4S/c1-18-14-10-9-13(11-15(14)22-16(18)19)23(20,21)17-12-7-5-3-2-4-6-8-12/h9-12,17H,2-8H2,1H3
  • InChiKey: BDXXEXIIGNZBOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclooctyl-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide
  • MLS000092347
  • N-cyclooctyl-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
  • SMR000027424

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
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) latrophilin receptor protein 2 0.0019 0.0016 0.0066
Schistosoma mansoni hypothetical protein 0.0101 0.0862 0.4122
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0102 0.0866 0.4142
Loa Loa (eye worm) hypothetical protein 0.0032 0.0149 0.0595
Echinococcus granulosus lamin 0.0033 0.0155 0.0139
Echinococcus multilocularis lamin 0.0033 0.0155 0.0139
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0101 0.0862 0.3434
Schistosoma mansoni hypothetical protein 0.0041 0.0244 0.1109
Onchocerca volvulus Netrin receptor homolog 0.0101 0.0862 0.3847
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0101 0.0862 0.0846
Echinococcus granulosus jun protein 0.0269 0.2584 0.2572
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0269 0.2584 0.2572
Echinococcus granulosus Ankyrin 0.0102 0.0866 0.0851
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0155 0.062
Loa Loa (eye worm) hypothetical protein 0.0033 0.0155 0.062
Schistosoma mansoni netrin receptor unc5 0.0101 0.0862 0.4122
Brugia malayi hypothetical protein 0.0211 0.1991 0.7703
Schistosoma mansoni lamin 0.0033 0.0155 0.0678
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0066
Echinococcus granulosus death domain containing protein 0.0101 0.0862 0.0846
Echinococcus multilocularis musashi 0.0033 0.0155 0.0139
Loa Loa (eye worm) hypothetical protein 0.0101 0.0862 0.3434
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.044 0.1753
Schistosoma mansoni jun-related protein 0.0218 0.2067 1
Echinococcus multilocularis jun protein 0.0269 0.2584 0.2572
Echinococcus granulosus netrin receptor unc 5 0.0101 0.0862 0.0846
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0269 0.2584 0.2572
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0101 0.0862 0.0846
Echinococcus multilocularis netrin receptor unc 5 0.0101 0.0862 0.0846
Echinococcus multilocularis nuclear factor of activated T cells 5 0.099 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0155 0.0139
Loa Loa (eye worm) hypothetical protein 0.0261 0.2509 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.044 0.1701
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0155 0.062
Echinococcus multilocularis lamin dm0 0.0033 0.0155 0.0139
Onchocerca volvulus 0.0211 0.1991 1
Brugia malayi Uncoordinated protein 44 0.0101 0.0862 0.3334
Echinococcus granulosus intermediate filament protein 0.0033 0.0155 0.0139
Brugia malayi intermediate filament protein 0.0033 0.0155 0.0602
Brugia malayi Protein kinase domain containing protein 0.0101 0.0862 0.3334
Schistosoma mansoni intermediate filament proteins 0.0033 0.0155 0.0678
Brugia malayi Immunoglobulin I-set domain containing protein 0.0101 0.0862 0.3334
Loa Loa (eye worm) hypothetical protein 0.0102 0.0866 0.345
Brugia malayi Death domain containing protein 0.0101 0.0862 0.3334
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0016 0.0064
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0155 0.0602
Echinococcus multilocularis Ankyrin 0.0102 0.0866 0.0851
Schistosoma mansoni ankyrin 23/unc44 0.0101 0.0862 0.4122
Brugia malayi bZIP transcription factor family protein 0.0269 0.2584 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0244 0.0943
Schistosoma mansoni lamin 0.0033 0.0155 0.0678
Loa Loa (eye worm) hypothetical protein 0.006 0.044 0.1753
Schistosoma mansoni hypothetical protein 0.0218 0.2067 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.044 0.1701
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0016 0.0064
Loa Loa (eye worm) hypothetical protein 0.0041 0.0244 0.0972

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1651 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 20.5962 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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