Detailed information for compound 1592495

Basic information

Technical information
  • TDR Targets ID: 1592495
  • Name: N-(3-methylphenyl)-2-pyridin-1-ium-1-ylacetam ide
  • MW: 227.282 | Formula: C14H15N2O+
  • H donors: 1 H acceptors: 1 LogP: 2.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)NC(=O)C[n+]1ccccc1
  • InChi: 1S/C14H14N2O/c1-12-6-5-7-13(10-12)15-14(17)11-16-8-3-2-4-9-16/h2-10H,11H2,1H3/p+1
  • InChiKey: FHWIHNSUPQLRHZ-UHFFFAOYSA-O  

Network

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Synonyms

  • N-(3-methylphenyl)-2-pyridin-1-ium-1-yl-acetamide
  • N-(3-methylphenyl)-2-(1-pyridin-1-iumyl)acetamide
  • N-(3-methylphenyl)-2-pyridin-1-ium-1-yl-ethanamide
  • ASN 06744178
  • ZINC04967386

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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2821 0.9225 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0022 0.0007 0.0007
Echinococcus multilocularis carbonic anhydrase 0.1387 0.4503 0.4881
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2821 0.9225 0.9251
Entamoeba histolytica protein kinase, putative 0.0032 0.004 0.004
Leishmania major carbonic anhydrase family protein, putative 0.3047 0.9972 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1956 0.6375 0.9902
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2821 0.9225 1
Plasmodium falciparum carbonic anhydrase 0.1387 0.4503 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.002 0 0.5
Echinococcus multilocularis carbonic anhydrase 0.1387 0.4503 0.4881
Entamoeba histolytica carbonic anhydrase, putative 0.3047 0.9972 1
Echinococcus granulosus serine/threonine protein kinase 0.0022 0.0007 0.0007
Trypanosoma brucei carbonic anhydrase-like protein 0.2821 0.9225 1
Trichomonas vaginalis conserved hypothetical protein 0.3056 1 1
Schistosoma mansoni carbonic anhydrase-related 0.1387 0.4503 0.4512
Loa Loa (eye worm) AGC/AKT protein kinase 0.0032 0.004 0.0007
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2821 0.9225 0.9251
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1387 0.4503 0.4862
Loa Loa (eye worm) hypothetical protein 0.2001 0.6525 0.7062
Echinococcus multilocularis carbonic anhydrase 0.1387 0.4503 0.4881
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1387 0.4503 0.4862
Schistosoma mansoni carbonic anhydrase 0.3047 0.9972 1
Schistosoma mansoni hypothetical protein 0.1387 0.4503 0.4512
Entamoeba histolytica protein kinase, putative 0.003 0.0034 0.0034
Echinococcus multilocularis carbonic anhydrase II 0.2821 0.9225 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1387 0.4503 0.4862
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2821 0.9225 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.3047 0.9972 0.5
Echinococcus granulosus carbonic anhydrase 0.1387 0.4503 0.4881
Echinococcus granulosus carbonic anhydrase 0.1387 0.4503 0.4881
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2821 0.9225 1
Loa Loa (eye worm) hypothetical protein 0.1387 0.4503 0.4862
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2821 0.9225 1
Toxoplasma gondii hypothetical protein 0.1387 0.4503 1
Loa Loa (eye worm) hypothetical protein 0.1387 0.4503 0.4862
Echinococcus granulosus carbonic anhydrase 0.1387 0.4503 0.4881
Trichomonas vaginalis conserved hypothetical protein 0.3056 1 1
Schistosoma mansoni carbonic anhydrase-related 0.1387 0.4503 0.4512
Entamoeba histolytica PH domain containing protein kinase, putative 0.0022 0.0007 0.0007
Echinococcus multilocularis rac serine:threonine kinase 0.0022 0.0007 0.0007
Trypanosoma cruzi Protein kinase B 0.0022 0.0007 0.0007
Giardia lamblia Kinase, AGC PKA 0.002 0 0.5
Schistosoma mansoni carbonic anhydrase 0.1387 0.4503 0.4512
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1387 0.4503 0.4862
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1964 0.6403 1
Brugia malayi Protein kinase domain containing protein 0.0032 0.004 0.0007
Loa Loa (eye worm) carbonic anhydrase 3 0.2821 0.9225 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0022 0.0007 0.0007
Entamoeba histolytica protein kinase, putative 0.0032 0.004 0.004
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1387 0.4503 0.4862
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1387 0.4503 0.4862
Schistosoma mansoni carbonic anhydrase-related 0.1387 0.4503 0.4512
Echinococcus granulosus carbonic anhydrase II 0.2821 0.9225 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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