Detailed information for compound 1445897

Basic information

Technical information
  • TDR Targets ID: 1445897
  • Name: 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]py rimidine-2-carboxylic acid
  • MW: 307.227 | Formula: C14H8F3N3O2
  • H donors: 1 H acceptors: 4 LogP: 2.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccccc1
  • InChi: 1S/C14H8F3N3O2/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)18-12-7-10(13(21)22)19-20(11)12/h1-7H,(H,21,22)
  • InChiKey: ATBJQBRIAPZDIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
  • BAS 00189444
  • 5-Phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
  • MLS000029656
  • SMR000001180
  • AG-219/33328064
  • EU-0099916
  • SBB009205

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0671 0.5
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0098 0.4888 0.4888
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0671 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0135 0.7175 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.4888 0.452
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2214 0.1654
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0671 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0128 0.6766 0.9175
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0094 0.4621 0.3091
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.4888 0.539
Loa Loa (eye worm) hypothetical protein 0.0135 0.7175 0.6972
Echinococcus multilocularis potassium voltage gated channel protein 0.0098 0.4888 0.3434
Echinococcus granulosus potassium voltage gated channel protein 0.0098 0.4888 0.3434
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0671 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.4888 0.539
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma cruzi ion transport protein, putative 0.0114 0.5886 1
Trypanosoma cruzi ion transport protein, putative 0.0114 0.5886 1
Schistosoma mansoni hypothetical protein 0.0135 0.7175 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0061 0.2556 0.202
Brugia malayi hypothetical protein 0.003 0.0671 0.0671
Echinococcus multilocularis muscleblind protein 0.018 1 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0098 0.4888 0.3434
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus granulosus small conductance calcium activated potassium 0.0135 0.7175 0.6372
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2987 0.2483
Echinococcus multilocularis small conductance calcium activated potassium 0.0135 0.7175 0.6372
Leishmania major ion transport protein-like protein 0.0114 0.5886 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0671 0.5
Echinococcus granulosus muscleblind protein 0.018 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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