Detailed information for compound 208564

Basic information

Technical information
  • TDR Targets ID: 208564
  • Name: N-(4-bromophenyl)-4-(3-chloropyridin-2-yl)pip erazine-1-carboxamide
  • MW: 395.681 | Formula: C16H16BrClN4O
  • H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)NC(=O)N1CCN(CC1)c1ncccc1Cl
  • InChi: 1S/C16H16BrClN4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23)
  • InChiKey: ROMOAFBMAHWVIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-bromophenyl)-4-(3-chloro-2-pyridyl)piperazine-1-carboxamide
  • N-(4-bromophenyl)-4-(3-chloro-2-pyridyl)-1-piperazinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Vanilloid receptor Starlite/ChEMBL References

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
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0093 0 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0 0.5
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0093 0 0.5
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0093 0 0.5
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0 0.5
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0093 0 0.5
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2223 1 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0845 0.3529 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0093 0 0.5
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0093 0 0.5
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0845 0.3529 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.2223 1 0.5
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2223 1 0.5
Onchocerca volvulus 0.0093 0 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 491 nM Vanilloid receptor subtype 1 antagonist activity based on its ability to block capsaicin-induced (CAP) activation of the rat VR1 channel in a HEK293 cell line ChEMBL. 14505681
IC50 (functional) = 491 nM Vanilloid receptor subtype 1 antagonist activity based on its ability to block capsaicin-induced (CAP) activation of the rat VR1 channel in a HEK293 cell line ChEMBL. 14505681
IC50 (functional) = 1010 nM Vanilloid receptor subtype 1 antagonist activity based on its ability to block low pH-induced activation of the rat VR1 channel in a HEK293 cell line ChEMBL. 14505681
IC50 (functional) = 1010 nM Vanilloid receptor subtype 1 antagonist activity based on its ability to block low pH-induced activation of the rat VR1 channel in a HEK293 cell line ChEMBL. 14505681

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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