Detailed information for compound 803272

Basic information

Technical information
  • TDR Targets ID: 803272
  • Name: N-(2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1 ,3-benzoxazole-6-sulfonamide
  • MW: 348.374 | Formula: C16H16N2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C
  • InChi: 1S/C16H16N2O5S/c1-10-4-7-14(22-3)12(8-10)17-24(20,21)11-5-6-13-15(9-11)23-16(19)18(13)2/h4-9,17H,1-3H3
  • InChiKey: ZJLLVILHOUBAAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methoxy-5-methyl-phenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
  • 2-keto-N-(2-methoxy-5-methyl-phenyl)-3-methyl-1,3-benzoxazole-6-sulfonamide
  • ZINC00814683
  • BAS 09106260

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
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
Echinococcus multilocularis carbonic anhydrase 0.0083 0.1342 0.1342
Schistosoma mansoni carbonic anhydrase 0.0083 0.1342 0.1342
Brugia malayi Augmenter of liver regeneration 0.0103 0.2772 0.3447
Loa Loa (eye worm) hepatopoietin HPO2 0.0103 0.2772 0.3447
Echinococcus multilocularis carbonic anhydrase 0.0083 0.1342 0.1342
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0177 0.8043 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0083 0.1342 0.1668
Trypanosoma brucei carbonic anhydrase-like protein 0.0177 0.8043 1
Echinococcus multilocularis carbonic anhydrase 0.0083 0.1342 0.1342
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0083 0.1342 0.1668
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0177 0.8043 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.1342 0.1668
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0103 0.2772 0.2772
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0083 0.1342 0.1668
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0177 0.8043 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.1342 0.1668
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0177 0.8043 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0177 0.8043 0.8043
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0177 0.8043 0.8043
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1342 0.1668
Echinococcus granulosus carbonic anhydrase 0.0083 0.1342 0.1342
Toxoplasma gondii Erv1 / Alr family protein 0.0103 0.2772 1
Leishmania major carbonic anhydrase-like protein 0.0177 0.8043 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0177 0.8043 1
Echinococcus multilocularis carbonic anhydrase II 0.0177 0.8043 0.8043
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0103 0.2772 0.2772
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.1342 0.1342
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0177 0.8043 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0103 0.2772 0.5
Schistosoma mansoni hypothetical protein 0.0083 0.1342 0.1342
Echinococcus granulosus carbonic anhydrase II 0.0177 0.8043 0.8043
Toxoplasma gondii Erv1 / Alr family protein 0.0103 0.2772 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1342 0.1668
Echinococcus granulosus carbonic anhydrase 0.0083 0.1342 0.1342
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0103 0.2772 1
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.1342 0.1342
Schistosoma mansoni hypothetical protein 0.0205 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.1342 0.1668
Loa Loa (eye worm) hypothetical protein 0.0083 0.1342 0.1668
Echinococcus granulosus carbonic anhydrase 0.0083 0.1342 0.1342
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.1342 0.1342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1032 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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