Detailed information for compound 47056

Basic information

Technical information
  • TDR Targets ID: 47056
  • Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[ (4-fluorophenyl)methoxymethyl]-4-methylpyrazo le
  • MW: 475.77 | Formula: C24H18Cl3FN2O
  • H donors: 0 H acceptors: 1 LogP: 7.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)COCc1nn(c(c1C)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl
  • InChi: 1S/C24H18Cl3FN2O/c1-15-22(14-31-13-16-2-9-20(28)10-3-16)29-30(23-11-8-19(26)12-21(23)27)24(15)17-4-6-18(25)7-5-17/h2-12H,13-14H2,1H3
  • InChiKey: WHVJRROQXOKHMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4-fluorophenyl)methoxymethyl]-4-methyl-pyrazole
  • 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4-fluorobenzyl)oxymethyl]-4-methyl-pyrazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cannabinoid CB1 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
Echinococcus multilocularis geminin 0.0166 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0583 0.5
Schistosoma mansoni hypothetical protein 0.0166 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.5667 0.8268
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0583 0.5
Loa Loa (eye worm) RNA binding protein 0.0066 0.3353 0.4505
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3353 0.2559
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.5
Echinococcus multilocularis tar DNA binding protein 0.0066 0.3353 0.2559
Schistosoma mansoni hypothetical protein 0.0069 0.3538 0.2766
Brugia malayi Latrophilin receptor protein 2 0.0032 0.1067 0.1585
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0583 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0583 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.3538 0.4805
Leishmania major hypothetical protein, conserved 0.0025 0.0583 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.3353 0.4505
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.6732 1
Brugia malayi hypothetical protein 0.0025 0.0583 0.0866
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3353 0.2559
Brugia malayi TAR-binding protein 0.0066 0.3353 0.4981
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.3353 0.4981
Loa Loa (eye worm) TAR-binding protein 0.0066 0.3353 0.4505
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0583 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.1067 0.1585
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.5667 0.8418
Echinococcus granulosus tar DNA binding protein 0.0066 0.3353 0.2559
Schistosoma mansoni hypothetical protein 0.0166 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3353 0.2559
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.6732 1
Brugia malayi MH2 domain containing protein 0.0117 0.6732 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.5667 0.8418
Brugia malayi RNA binding protein 0.0066 0.3353 0.4981
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3353 0.2559
Loa Loa (eye worm) hypothetical protein 0.0032 0.1067 0.0787
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.3538 0.5255
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.1067 0.0787
Loa Loa (eye worm) hypothetical protein 0.0101 0.5667 0.8268
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3353 0.2559

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6 nM Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes. ChEMBL. 11906286
Ki (binding) = 6 nM Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes. ChEMBL. 11906286

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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