Detailed information for compound 1350080

Basic information

Technical information
  • TDR Targets ID: 1350080
  • Name: 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3- [3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
  • MW: 404.773 | Formula: C19H12ClF3N4O
  • H donors: 0 H acceptors: 3 LogP: 5.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nc(c(c1Cl)c1onc(n1)c1cccc(c1)C(F)(F)F)c1ccccc1
  • InChi: 1S/C19H12ClF3N4O/c1-27-16(20)14(15(25-27)11-6-3-2-4-7-11)18-24-17(26-28-18)12-8-5-9-13(10-12)19(21,22)23/h2-10H,1H3
  • InChiKey: VZKYCVOAZKRLOT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
  • 5-(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
  • 5-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
  • MLS000540966
  • SMR000126024
  • ZINC01389893
  • 4P-659S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504

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 choline kinase, putative 0.0382 0.4425 1
Schistosoma mansoni choline/ethanolamine kinase 0.0037 0.0169 0.0169
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0037 0.0169 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Leishmania major choline/ethanolamine kinase, putative 0.0037 0.0169 1
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0037 0.0169 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Plasmodium falciparum choline kinase 0.0382 0.4425 1
Loa Loa (eye worm) choline/ethanolamine kinase 0.0037 0.0169 0.0382
Loa Loa (eye worm) choline Kinase A 0.0037 0.0169 0.0382
Brugia malayi Choline/ethanolamine kinase family protein 0.0037 0.0169 0.0382
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0037 0.0169 1
Echinococcus granulosus ethanolamine kinase 2 0.0037 0.0169 0.0169
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0382 0.4425 0.4425
Loa Loa (eye worm) choline/ethanolamine kinase 0.0382 0.4425 1
Trypanosoma brucei choline/ethanolamine kinase 0.0037 0.0169 1
Echinococcus granulosus choline:ethanolamine kinase 0.0382 0.4425 0.4425
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trypanosoma cruzi choline kinase 0.0037 0.0169 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0382 0.4425 1
Schistosoma mansoni choline kinase 0.0037 0.0169 0.0169
Schistosoma mansoni choline/ethanolamine kinase 0.0037 0.0169 0.0169
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0037 0.0169 1
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0037 0.0169 0.5
Brugia malayi Choline/ethanolamine kinase family protein 0.0382 0.4425 1
Trypanosoma brucei choline kinase 0.0037 0.0169 1
Echinococcus multilocularis ethanolamine kinase 2 0.0037 0.0169 0.0169
Leishmania major choline kinase 0.0037 0.0169 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0169 0.0382
Onchocerca volvulus 0.0037 0.0169 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Giardia lamblia Ethanolamine kinase, putative 0.0037 0.0169 1
Brugia malayi Choline/ethanolamine kinase family protein 0.0037 0.0169 0.0382

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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.