Detailed information for compound 29858

Basic information

Technical information
  • TDR Targets ID: 29858
  • Name: 1-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl] -[1,3]oxazolo[5,4-b]pyridin-2-one
  • MW: 388.462 | Formula: C23H24N4O2
  • H donors: 0 H acceptors: 2 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2c(n1CCCN1CCN(CC1)c1cccc3c1cccc3)cccn2
  • InChi: 1S/C23H24N4O2/c28-23-27(21-10-4-11-24-22(21)29-23)13-5-12-25-14-16-26(17-15-25)20-9-3-7-18-6-1-2-8-19(18)20/h1-4,6-11H,5,12-17H2
  • InChiKey: GFJSFEUHAPSRJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3-[4-(1-naphthyl)piperazin-1-yl]propyl]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-[4-(1-naphthalenyl)-1-piperazinyl]propyl]-2-oxazolo[5,4-b]pyridinone
  • 1-[3-[4-(1-naphthyl)piperazino]propyl]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-[4-(1-naphthyl)-1-piperazinyl]propyl]-2-oxazolo[5,4-b]pyridinone

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
Schistosoma mansoni hypothetical protein 0.0036 1 1
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 1 1
Trypanosoma cruzi aldo-keto reductase 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 1 1
Trypanosoma brucei prostaglandin f synthase 0.0032 0 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0032 0 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0032 0 0.5
Toxoplasma gondii aldose reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0032 0 0.5
Leishmania major prostaglandin f synthase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 1 1
Giardia lamblia Aldose reductase 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Giardia lamblia Aldose reductase 0.0032 0 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0032 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0032 0 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0032 0 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 1 1
Onchocerca volvulus 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Trypanosoma brucei aldo-keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5
Leishmania major aldo-keto reductase-like protein 0.0032 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 1 1
Mycobacterium ulcerans oxidoreductase 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0032 0 0.5
Onchocerca volvulus 0.0032 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity ratio (functional) = 0 Analgesic activity against acetic acid-induced writhing in the rat compared to that of aspirin. ChEMBL. 7731014
Activity ratio (functional) = 0.9 Analgesic activity against phenylquinone induced writhing in mice compared to that of aspirin. ChEMBL. 7731014
Inhibition (functional) = 0 % Inhibition of acetic acid induced writhing in rat following 50 mg/kg p.o. ChEMBL. 7731014
Inhibition (functional) = 44 % Inhibition of phenylquinone induced writhing in mice following 50 mg/kg p.o. ChEMBL. 7731014
Inhibition (functional) = 44 % Inhibition of phenylquinone induced writhing in mice following 50 mg/kg p.o. ChEMBL. 7731014

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.

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