Detailed information for compound 1364602

Basic information

Technical information
  • TDR Targets ID: 1364602
  • Name: 2-chloro-3-[2-(6-chloropyridin-3-yl)tetrazol- 5-yl]quinoline
  • MW: 343.17 | Formula: C15H8Cl2N6
  • H donors: 0 H acceptors: 5 LogP: 4.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)n1nnc(n1)c1cc2ccccc2nc1Cl
  • InChi: 1S/C15H8Cl2N6/c16-13-6-5-10(8-18-13)23-21-15(20-22-23)11-7-9-3-1-2-4-12(9)19-14(11)17/h1-8H
  • InChiKey: LWCSOPZVUMWHDD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-3-[2-(6-chloro-3-pyridyl)tetrazol-5-yl]quinoline
  • 2-chloro-3-[2-(6-chloro-3-pyridyl)-5-tetrazolyl]quinoline
  • 2-chloro-3-[2-(6-chloropyridin-3-yl)-1,2,3,4-tetrazol-5-yl]quinoline
  • MLS-0067122.0001

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 hypothetical protein 0.0036 0.0789 0.0995
Loa Loa (eye worm) intermediate filament protein 0.0054 0.2807 0.3543
Schistosoma mansoni lipoxygenase 0.0083 0.6016 0.5896
Loa Loa (eye worm) hypothetical protein 0.0053 0.2696 0.3404
Entamoeba histolytica hypothetical protein 0.0036 0.0789 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0789 0.0511
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.7922 1
Schistosoma mansoni lipoxygenase 0.0118 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.2807 0.3543
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0789 0.0511
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0293 0.0369
Onchocerca volvulus 0.0054 0.2807 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.2807 0.3543
Loa Loa (eye worm) hypothetical protein 0.0068 0.4391 0.5542
Entamoeba histolytica hypothetical protein 0.0036 0.0789 0.5
Echinococcus granulosus lamin dm0 0.0054 0.2807 0.259
Echinococcus multilocularis musashi 0.0054 0.2807 0.259
Schistosoma mansoni lamin 0.0054 0.2807 0.259
Entamoeba histolytica hypothetical protein 0.0036 0.0789 0.5
Brugia malayi intermediate filament protein 0.0054 0.2807 0.3543
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.4391 0.5542
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0293 0.0369
Echinococcus granulosus lamin 0.0054 0.2807 0.259
Loa Loa (eye worm) hypothetical protein 0.0031 0.0293 0.0369
Echinococcus multilocularis lamin dm0 0.0054 0.2807 0.259
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.7922 1
Echinococcus granulosus intermediate filament protein 0.0054 0.2807 0.259
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.2807 0.3543
Onchocerca volvulus 0.0054 0.2807 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.7922 1
Schistosoma mansoni intermediate filament proteins 0.0054 0.2807 0.259
Schistosoma mansoni lamin 0.0054 0.2807 0.259
Schistosoma mansoni hypothetical protein 0.0036 0.0789 0.0511
Entamoeba histolytica hypothetical protein 0.0036 0.0789 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.7922 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0293 0.0369
Schistosoma mansoni hypothetical protein 0.0068 0.4391 0.4222
Echinococcus multilocularis lamin 0.0054 0.2807 0.259
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0789 0.0511

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 621, 432 ] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1. (Class of assay: confirmatory) [Related pubchem assays: 432 ] 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.