Detailed information for compound 284933

Basic information

Technical information
  • TDR Targets ID: 284933
  • Name: 4-nitro-3-phenyl-5-(trifluoromethyl)-1H-pyraz ole
  • MW: 257.169 | Formula: C10H6F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1c([nH]nc1C(F)(F)F)c1ccccc1
  • InChi: 1S/C10H6F3N3O2/c11-10(12,13)9-8(16(17)18)7(14-15-9)6-4-2-1-3-5-6/h1-5H,(H,14,15)
  • InChiKey: FAHRYEXMSLOYOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi Peptide deformylase 2, putative 0.0093 0.3287 1
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0031 0.0508 0.3603
Loa Loa (eye worm) hypothetical protein 0.0043 0.1051 0.3672
Loa Loa (eye worm) hypothetical protein 0.006 0.1827 1
Schistosoma mansoni hypothetical protein 0.0031 0.0509 0.3298
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0244 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0031 0.0508 0.3603
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0043 0.1051 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Trypanosoma brucei Peptide deformylase 2 0.0093 0.3287 1
Loa Loa (eye worm) histone deacetylase 3 0.0043 0.1051 0.3672
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0509 0.3615
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0051 0.1409 1
Echinococcus granulosus histone deacetylase 3 0.0043 0.1051 0.7457
Schistosoma mansoni bromodomain containing protein 0.0054 0.1545 1
Trypanosoma brucei Polypeptide deformylase 1 0.0093 0.3287 1
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Entamoeba histolytica histone deacetylase, putative 0.0043 0.1051 1
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0093 0.3287 1
Brugia malayi hypothetical protein 0.0031 0.0509 0.2209
Brugia malayi Bromodomain containing protein 0.0033 0.0597 0.2673
Brugia malayi histone deacetylase 1 (HD1) 0.0043 0.1051 0.5059
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0051 0.1409 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.069 0.0732
Brugia malayi Histone deacetylase 1 0.0043 0.1051 0.5059
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0244 1 0.5
Plasmodium vivax peptide deformylase, putative 0.0244 1 1
Schistosoma mansoni histone deacetylase 0.0043 0.1051 0.6801
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0509 0.3615
Brugia malayi histone deacetylase 3 (HD3) 0.0043 0.1051 0.5059
Echinococcus multilocularis histone deacetylase 3 0.0043 0.1051 0.7457
Loa Loa (eye worm) hypothetical protein 0.0036 0.0762 0.1322
Trichomonas vaginalis histone deacetylase, putative 0.0043 0.1051 0.5
Giardia lamblia Histone deacetylase 0.0043 0.1051 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0043 0.1051 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0043 0.1051 0.3672
Echinococcus multilocularis histone deacetylase 1 0.0043 0.1051 0.7457
Plasmodium falciparum peptide deformylase 0.0244 1 1
Schistosoma mansoni histone deacetylase 0.0043 0.1051 0.6801
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0244 1 0.5
Treponema pallidum polypeptide deformylase (def) 0.0244 1 0.5
Mycobacterium ulcerans peptide deformylase 0.0244 1 0.5
Toxoplasma gondii hypothetical protein 0.0244 1 1
Brugia malayi Bromodomain containing protein 0.0064 0.1989 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0043 0.1051 0.5
Echinococcus granulosus histone deacetylase 1 0.0043 0.1051 0.7457
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0093 0.3287 1
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0509 0.3298
Leishmania major polypeptide deformylase-like protein, putative 0.0093 0.3287 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0093 0.3287 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 30 uM Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes ChEMBL. 14741296
EC50 (functional) = 30 uM Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes ChEMBL. 14741296
Max response (functional) = 38 % Percent maximal agonist response of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes at 30 uM ChEMBL. 14741296
Max response (functional) = 38 % Percent maximal agonist response of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes at 30 uM ChEMBL. 14741296

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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