Detailed information for compound 253308

Basic information

Technical information
  • TDR Targets ID: 253308
  • Name: 3-hydroxy-1H-quinolin-2-one
  • MW: 161.157 | Formula: C9H7NO2
  • H donors: 2 H acceptors: 2 LogP: 1.19 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2ccccc2cc1O
  • InChi: 1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
  • InChiKey: BERPCVULMUPOER-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-hydroxycarbostyril
  • ZINC00332818

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens D-aspartate oxidase Starlite/ChEMBL References
Sus scrofa D-amino-acid oxidase Starlite/ChEMBL References
Rattus norvegicus D-amino-acid oxidase Starlite/ChEMBL References
Homo sapiens D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans putative d-amino acid oxidase 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 D-amino acid oxidase 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 mansoni 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
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
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase 347 aa 378 aa 24.6 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase   346 aa 382 aa 24.1 %
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-amino-acid oxidase   346 aa 350 aa 31.1 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-aspartate oxidase 369 aa 373 aa 28.7 %
Candida albicans similar to putative d-amino acid oxidase D-amino-acid oxidase   346 aa 388 aa 22.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0714 0 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0779 1 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0779 1 0.5
Schistosoma mansoni d-amino acid oxidase 0.0779 1 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 115 uM Cytotoxicity against human MT4 cells ChEMBL. 22607675
IC50 (binding) = 4 nM Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 6.9 nM Inhibition of human recombinant DAAO after 30 mins by plate reader analysis ChEMBL. 23566269
IC50 (binding) = 42 nM Inhibition of DAAO (unknown origin) by cell based assay ChEMBL. 23566269
IC50 (binding) = 43 nM Inhibition of human recombinant DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis ChEMBL. 27089209
IC50 (binding) = 94 nM Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis ChEMBL. 27089209
IC50 (binding) = 215 nM Inhibition of rat recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 855 nM Inhibition of human recombinant DDO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 0.1 uM Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reader analysis ChEMBL. 27089209
IC50 (binding) > 100 uM Inhibition of HIV1 reverse transcriptase RNase H activity ChEMBL. 22607675
Inhibition (binding) = 29 % Displacement of [3H]-glycine from NMDA receptor of rat cortical membranes ChEMBL. No reference
Inhibition (binding) = 29 % Displacement of [3H]-glycine from NMDA receptor of rat cortical membranes ChEMBL. No reference
Inhibition (binding) = 97 % Inhibition of HIV1 reverse transcriptase RNase H activity assessed as remaining activity at 100 uM ChEMBL. 22607675
Kd (binding) = 13 nM Binding affinity to biotinylated human recombinant DAAO by Biacore assay ChEMBL. 19438227

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

3 literature references were collected for this gene.

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