Detailed information for compound 1184937

Basic information

Technical information
  • TDR Targets ID: 1184937
  • Name: 1,2-benzoxazol-3-one
  • MW: 135.12 | Formula: C7H5NO2
  • H donors: 1 H acceptors: 2 LogP: 1.68 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1noc2c1cccc2
  • InChi: 1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
  • InChiKey: QLDQYRDCPNBPII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • indoxazen-3-one
  • 21725-69-9
  • 1,2-Benzisoxazolin-3-one
  • 3-Hydroxybenzisoxazole
  • ZINC00162980
  • AIDS-161282
  • AIDS161282
  • RF 01278
  • NSC683715
  • SDCCGMLS-0066198.P001
  • 1,2-Benzisoxazol-3(2H)-one
  • 1,2-Benzisoxazol-3-ol (8CI)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium ulcerans D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to putative d-amino acid oxidase D-amino-acid oxidase   347 aa 390 aa 23.3 %
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-amino-acid oxidase   347 aa 351 aa 30.8 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase   347 aa 376 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.185 0.1366
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0178 0.9045 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0025 0.0409 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.185 1
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.1424 0.7041
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1424 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0561 1
Brugia malayi Inositol-1 0.0043 0.1424 0.7696
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.185 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.1424 0.1058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.185 0.1503
Mycobacterium ulcerans hypothetical protein 0.0178 0.9045 0.9004
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.1424 0.7041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.185 0.1503
Brugia malayi hypothetical protein 0.0028 0.0561 0.3031
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.1424 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0178 0.9045 0.9004
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1424 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0179 0.9081 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0561 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.1424 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0178 0.9045 0.9958
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0561 0.1495
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0561 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0025 0.0409 0.2212
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.185 1
Mycobacterium tuberculosis Probable aminotransferase 0.0178 0.9045 0.9958
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.1424 0.1058
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.1168 0.0875
Loa Loa (eye worm) inositol-1 0.0043 0.1424 0.0914
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.185 0.1503
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0178 0.9045 0.9004
Schistosoma mansoni inositol monophosphatase 0.0043 0.1424 0.1058
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.1424 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.185 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1424 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.185 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1424 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.1168 0.0791

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.88 uM Inhibition of pig D-amino acid oxidase ChEMBL. 18507366

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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