Detailed information for compound 1128878

Basic information

Technical information
  • TDR Targets ID: 1128878
  • Name: 2,3,4,5,6-Pentachloropyridine
  • MW: 251.325 | Formula: C5Cl5N
  • H donors: 0 H acceptors: 1 LogP: 4.66 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nc(Cl)c(c(c1Cl)Cl)Cl
  • InChi: 1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
  • InChiKey: DNDPLEAVNVOOQZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2176-62-7
  • WLN: T6NJ BG CG DG EG FG
  • 138002_ALDRICH
  • BRN 0155197
  • EINECS 218-535-5
  • HSDB 5867
  • NSC 26286
  • BB_SC-2571
  • ZINC01628311
  • P143
  • NCGC00164060-01
  • NSC26286
  • Pentachloropyridine
  • Perchloropyridine
  • Pyridine, 2,3,4,5,6-pentachloro-
  • Pyridine, pentachloro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No 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 M18 aspartyl aminopeptidase, putative 0.0074 0.2809 0.5
Echinococcus multilocularis aspartyl aminopeptidase 0.0074 0.2809 0.232
Entamoeba histolytica aminopeptidase, putative 0.0074 0.2809 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0074 0.2809 0.232
Schistosoma mansoni hypothetical protein 0.0174 1 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.2809 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.2809 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0074 0.2809 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.2809 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0074 0.2809 0.232
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0074 0.2809 0.5
Schistosoma mansoni hypothetical protein 0.0174 1 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0074 0.2809 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0074 0.2809 0.5
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0074 0.2809 1
Echinococcus granulosus aspartyl aminopeptidase 0.0074 0.2809 0.232
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0074 0.2809 0.5
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0074 0.2809 0.5
Echinococcus multilocularis geminin 0.0174 1 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0074 0.2809 0.5
Brugia malayi Aspartyl aminopeptidase 0.0074 0.2809 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2809 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0074 0.2809 0.5
Loa Loa (eye worm) aspartyl aminopeptidase 0.0074 0.2809 0.5
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0074 0.2809 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.735 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.2289 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.9995 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.