Detailed information for compound 1734901

Basic information

Technical information
  • TDR Targets ID: 1734901
  • Name: 3-hydroxy-5-methyl-1H-pyridin-2-one
  • MW: 125.125 | Formula: C6H7NO2
  • H donors: 2 H acceptors: 2 LogP: -0.02 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(O)c(=O)[nH]c1
  • InChi: 1S/C6H7NO2/c1-4-2-5(8)6(9)7-3-4/h2-3,8H,1H3,(H,7,9)
  • InChiKey: WLNOODYSRMFEDN-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-hydroxy-5-methyl-2-pyridone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Schistosoma mansoni 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
Loa Loa (eye worm) hypothetical protein 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
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
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 tuberculosis Probable D-amino acid oxidase Aao 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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0645 0.1243 0.5
Schistosoma mansoni acetylcholinesterase 0.0645 0.1243 0.1243
Loa Loa (eye worm) carboxylesterase 0.0645 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Echinococcus granulosus acetylcholinesterase 0.3815 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0645 0.1243 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0645 0.1243 0.1243
Trichomonas vaginalis spcc417.12 protein, putative 0.0645 0.1243 0.5
Onchocerca volvulus 0.0645 0.1243 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0645 0.1243 0.5
Loa Loa (eye worm) hypothetical protein 0.3815 1 1
Schistosoma mansoni memapsin-2 (A01 family) 0.1795 0.4421 0.4421
Onchocerca volvulus 0.0645 0.1243 0.5
Loa Loa (eye worm) hypothetical protein 0.3815 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0645 0.1243 0.5
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Schistosoma mansoni gliotactin 0.0645 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Echinococcus multilocularis carboxylesterase 5A 0.3815 1 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 0 0.5
Onchocerca volvulus 0.0645 0.1243 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0645 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Loa Loa (eye worm) acetylcholinesterase 1 0.3815 1 1
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Mycobacterium tuberculosis Carboxylesterase LipT 0.0645 0.1243 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0645 0.1243 0.1243
Loa Loa (eye worm) carboxylesterase 0.0645 0.1243 0.1243
Brugia malayi Carboxylesterase family protein 0.3815 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0645 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Loa Loa (eye worm) carboxylesterase 0.3815 1 1
Loa Loa (eye worm) hypothetical protein 0.0645 0.1243 0.1243
Onchocerca volvulus 0.0645 0.1243 0.5
Echinococcus granulosus carboxylesterase 5A 0.3815 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0645 0.1243 0.1243
Echinococcus multilocularis acetylcholinesterase 0.3815 1 1
Echinococcus granulosus acetylcholinesterase 0.3815 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0645 0.1243 1
Echinococcus multilocularis acetylcholinesterase 0.3815 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.3815 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 140 nM Inhibition of human recombinant DAAO after 30 mins by plate reader analysis ChEMBL. 23566269

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.