Detailed information for compound 1145221

Basic information

Technical information
  • TDR Targets ID: 1145221
  • Name: pyridin-3-yl N-phenylcarbamate
  • MW: 214.22 | Formula: C12H10N2O2
  • H donors: 1 H acceptors: 2 LogP: 1.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1cccnc1)Nc1ccccc1
  • InChi: 1S/C12H10N2O2/c15-12(14-10-5-2-1-3-6-10)16-11-7-4-8-13-9-11/h1-9H,(H,14,15)
  • InChiKey: UPRPNGGSKFBCOW-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-pyridyl N-phenylcarbamate
  • N-phenylcarbamic acid 3-pyridyl ester
  • NCIOpen2_004132
  • NSC74552

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
Brugia malayi Animal haem peroxidase family protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Brugia malayi Carboxylesterase family protein 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Echinococcus granulosus carboxylesterase 5A 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.5136 0.5136
Echinococcus granulosus peroxidasin 0.0157 0.7596 0.7596
Onchocerca volvulus 0.0157 0.7596 1
Brugia malayi Animal haem peroxidase family protein 0.0157 0.7596 0.7596
Onchocerca volvulus Peroxidase homolog 0.0157 0.7596 1
Echinococcus granulosus geminin 0.0166 0.8142 0.8142
Echinococcus multilocularis geminin 0.0166 0.8142 0.8142
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0033 0 0.5
Brugia malayi Peroxidasin 0.0157 0.7596 0.7596
Loa Loa (eye worm) acetylcholinesterase 1 0.0196 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) blistered cuticle protein 3 0.0157 0.7596 0.7596
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.7596 0.7596
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0196 1 1
Onchocerca volvulus Dual oxidase homolog 0.0157 0.7596 1
Echinococcus multilocularis acetylcholinesterase 0.0196 1 1
Onchocerca volvulus 0.0157 0.7596 1
Echinococcus multilocularis acetylcholinesterase 0.0196 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.5136 0.5136
Schistosoma mansoni hypothetical protein 0.0166 0.8142 0.8142
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.7596 0.7596
Echinococcus granulosus acetylcholinesterase 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Schistosoma mansoni peroxidasin 0.0157 0.7596 0.7596
Schistosoma mansoni hypothetical protein 0.0166 0.8142 0.8142
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Onchocerca volvulus Peroxidasin homolog 0.0157 0.7596 1
Brugia malayi Animal haem peroxidase family protein 0.0157 0.7596 0.7596
Onchocerca volvulus Peroxidase homolog 0.0157 0.7596 1
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.7596 0.7596
Trichomonas vaginalis spcc417.12 protein, putative 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Brugia malayi Animal haem peroxidase family protein 0.0157 0.7596 0.7596
Onchocerca volvulus Peroxidasin homolog 0.0157 0.7596 1
Loa Loa (eye worm) hypothetical protein 0.0196 1 1
Schistosoma mansoni peroxidasin 0.0157 0.7596 0.7596
Brugia malayi MH2 domain containing protein 0.0117 0.5136 0.5136
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Loa Loa (eye worm) hypothetical protein 0.0157 0.7596 0.7596
Brugia malayi Animal haem peroxidase family protein 0.0157 0.7596 0.7596
Mycobacterium tuberculosis Carboxylesterase LipT 0.0033 0 0.5
Echinococcus multilocularis peroxidasin 0.0157 0.7596 0.7596
Brugia malayi Blistered cuticle protein 3 0.0157 0.7596 0.7596
Onchocerca volvulus 0.0157 0.7596 1
Brugia malayi hypothetical protein 0.0157 0.7596 0.7596
Echinococcus granulosus acetylcholinesterase 0.0196 1 1
Loa Loa (eye worm) carboxylesterase 0.0196 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0157 0.7596 1
Loa Loa (eye worm) hypothetical protein 0.0196 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0157 0.7596 0.7596
Mycobacterium ulcerans carboxylesterase, LipT 0.0033 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0033 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 30000 nM Inhibition of human whole RBC AChE pretreated for 30 mins by Ellman technique ChEMBL. 20627738
IC50 (binding) > 30000 nM Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique ChEMBL. 20627738

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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