Detailed information for compound 1471341

Basic information

Technical information
  • TDR Targets ID: 1471341
  • Name: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol -1-yl]-(4-bromo-1,5-dimethylpyrazol-3-yl)meth anone
  • MW: 387.128 | Formula: C11H11BrF4N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1nn(c(c1Br)C)C)F
  • InChi: 1S/C11H11BrF4N4O2/c1-4-6(12)7(18-19(4)2)9(21)20-11(22,10(15)16)3-5(17-20)8(13)14/h8,10,22H,3H2,1-2H3
  • InChiKey: JEWKNEZYMLZTMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-1,5-dimethyl-pyrazol-3-yl)methanone
  • [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-1,5-dimethyl-3-pyrazolyl)methanone
  • SMR000228178
  • STK302276
  • 1-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
  • MLS000698629

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma mansoni zinc finger protein 0.0123 0.3321 0.3321
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0123 0.3321 0.3321
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0123 0.3321 0.3321
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0123 0.3321 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0345 1 1
Plasmodium vivax hypothetical protein, conserved 0.0345 1 0.5
Onchocerca volvulus 0.0345 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0345 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.3321 0.5
Onchocerca volvulus 0.0123 0.3321 0.3321
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0345 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0345 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0123 0.3321 0.3321
Schistosoma mansoni TRABID protein (C64 family) 0.0123 0.3321 0.3321
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0123 0.3321 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0345 1 1
Brugia malayi hypothetical protein 0.0286 0.8217 0.8217
Schistosoma mansoni hypothetical protein 0.0345 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.0123 0.3321 0.3321
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0123 0.3321 0.3321
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0123 0.3321 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0345 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0345 1 1
Chlamydia trachomatis SWIB complex protein 0.0345 1 0.5
Onchocerca volvulus 0.0123 0.3321 0.3321
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8217 0.8217
Chlamydia trachomatis DNA topoisomerase I 0.0345 1 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0123 0.3321 0.3321
Echinococcus multilocularis zinc finger protein Ran binding 0.0123 0.3321 0.3321
Leishmania major hypothetical protein, conserved 0.0123 0.3321 0.5
Leishmania major hypothetical protein, conserved 0.0123 0.3321 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.3321 0.3321
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0123 0.3321 0.3321
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8217 0.8217
Loa Loa (eye worm) hypothetical protein 0.0286 0.8217 0.8217
Schistosoma mansoni hypothetical protein 0.0058 0.1384 0.1384
Echinococcus granulosus Zinc finger RanBP2 type 0.0123 0.3321 0.3321
Loa Loa (eye worm) brahma associated protein 0.0345 1 1
Schistosoma mansoni RNA binding protein 0.0123 0.3321 0.3321
Schistosoma mansoni hypothetical protein 0.0345 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0345 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0345 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.3321 0.3321
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.3321 0.5
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0123 0.3321 0.3321
Schistosoma mansoni survival motor neuron protein 0.0058 0.1384 0.1384
Loa Loa (eye worm) hypothetical protein 0.0123 0.3321 0.3321
Onchocerca volvulus 0.0123 0.3321 0.3321
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0123 0.3321 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0123 0.3321 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0123 0.3321 0.3321
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0345 1 1
Brugia malayi YY1-associated factor 2 0.0123 0.3321 0.3321
Leishmania major hypothetical protein, conserved 0.0123 0.3321 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0123 0.3321 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0123 0.3321 0.5
Onchocerca volvulus 0.0058 0.1384 0.1384
Schistosoma mansoni hypothetical protein 0.0123 0.3321 0.3321
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.3321 0.5
Schistosoma mansoni brg-1 associated factor 0.0345 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0123 0.3321 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.3321 0.3321
Leishmania major hypothetical protein, conserved 0.0123 0.3321 0.5
Schistosoma mansoni fusion 0.0123 0.3321 0.3321
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1384 0.1384
Echinococcus multilocularis SWI:SNF matrix associated 0.0345 1 1
Brugia malayi brahma associated protein 60 kDa 0.0345 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0123 0.3321 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0123 0.3321 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0123 0.3321 0.3321
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0345 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.3321 0.3321
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0123 0.3321 0.3321
Schistosoma mansoni hypothetical protein 0.0345 1 1
Leishmania major hypothetical protein, conserved 0.0123 0.3321 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0345 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0345 1 1
Onchocerca volvulus 0.0123 0.3321 0.3321
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0123 0.3321 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.

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