Detailed information for compound 1733855

Basic information

Technical information
  • TDR Targets ID: 1733855
  • Name: 3-hydroxy-1-(phenylmethyl)pyridin-2-one
  • MW: 201.221 | Formula: C12H11NO2
  • H donors: 1 H acceptors: 2 LogP: 1.74 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(cccc1O)Cc1ccccc1
  • InChi: 1S/C12H11NO2/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-8,14H,9H2
  • InChiKey: YYOJBSBLTSAPCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-1-(phenylmethyl)-2-pyridinone
  • 1-(benzyl)-3-hydroxy-2-pyridone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis heat shock protein, putative 0.0173 0.1161 0.4732
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0173 0.1161 0.503
Plasmodium vivax heat shock protein 86, putative 0.0217 0.2308 0.5
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Toxoplasma gondii heat shock protein 90, putative 0.0217 0.2308 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0217 0.2308 0.5
Schistosoma mansoni bromodomain containing 0.032 0.4974 1
Echinococcus granulosus bromodomain containing protein 7 0.0311 0.473 0.4312
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0173 0.1161 0.5
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0173 0.1161 0.5
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Echinococcus granulosus Bromodomain containing protein 0.0492 0.9439 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0217 0.2308 1
Trichomonas vaginalis heat shock protein, putative 0.0217 0.2308 1
Trypanosoma cruzi heat shock protein 85, putative 0.0217 0.2308 1
Echinococcus multilocularis Bromodomain containing protein 0.0492 0.9439 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Entamoeba histolytica heat shock protein 90, putative 0.0217 0.2308 0.5
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Loa Loa (eye worm) hypothetical protein 0.0514 1 1
Treponema pallidum heat shock protein 90 0.0173 0.1161 0.5
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0173 0.1161 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0217 0.2308 1
Echinococcus multilocularis heat shock protein 90 0.0217 0.2308 0.1385
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Trichomonas vaginalis heat shock protein, putative 0.0173 0.1161 0.4732
Echinococcus multilocularis heat shock protein 0.0217 0.2308 0.1385
Entamoeba histolytica heat shock protein 90, putative 0.0217 0.2308 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0217 0.2308 1
Trypanosoma brucei Heat shock protein 83, putative 0.0217 0.2308 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0217 0.2308 0.5
Schistosoma mansoni hypothetical protein 0.0311 0.473 0.9087
Trichomonas vaginalis heat shock protein, putative 0.0173 0.1161 0.4732
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Toxoplasma gondii heat shock protein HSP90 0.0217 0.2308 0.5
Plasmodium falciparum heat shock protein 90 0.0217 0.2308 1
Trypanosoma cruzi heat shock protein 90, putative 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Echinococcus granulosus heat shock protein 0.0217 0.2308 0.1385
Mycobacterium ulcerans heat shock protein 90 0.0173 0.1161 0.5
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0217 0.2308 1
Trypanosoma cruzi heat shock protein 85, putative 0.0173 0.1161 0.503
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Plasmodium vivax endoplasmin, putative 0.0217 0.2308 0.5
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5
Echinococcus granulosus heat shock protein 90 0.0217 0.2308 0.1385
Echinococcus multilocularis bromodomain containing protein 7 0.0311 0.473 0.4312
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Leishmania major heat shock protein 83-1 0.0217 0.2308 1
Trypanosoma brucei heat shock protein, putative 0.0217 0.2308 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.3 ug ml-1 Antileishmanial activity against promastigote stage of Leishmania donovani after 72 hrs by Alamar blue assay ChEMBL. 25240614
IC50 (ADMET) > 10 ug ml-1 Cytotoxicity against human THP1 cells after 48 hrs by Alamar blue assay ChEMBL. 25240614
IC50 (functional) > 40 ug ml-1 Antileishmanial activity against axenic amastigote stage of Leishmania donovani after 72 hrs by Alamar blue assay ChEMBL. 25240614
Inhibition (binding) Inhibition of HDAC1 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis ChEMBL. 23547652
Inhibition (binding) Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis ChEMBL. 23547652

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania donovani ChEMBL23 25240614
Homo sapiens ChEMBL23 25240614

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.

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