Detailed information for compound 1551627

Basic information

Technical information
  • TDR Targets ID: 1551627
  • Name: 2-(3-bromophenyl)-5-(4-methylphenyl)-7-(trifl uoromethyl)pyrazolo[1,5-a]pyrimidine
  • MW: 432.237 | Formula: C20H13BrF3N3
  • H donors: 0 H acceptors: 2 LogP: 5.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)c1cccc(c1)Br
  • InChi: 1S/C20H13BrF3N3/c1-12-5-7-13(8-6-12)16-10-18(20(22,23)24)27-19(25-16)11-17(26-27)14-3-2-4-15(21)9-14/h2-11H,1H3
  • InChiKey: PDYNDTWZQYVAAF-UHFFFAOYSA-N  

Network

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Synonyms

  • STK186166
  • NCGC00100627-01

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
Loa Loa (eye worm) hypothetical protein 0.0029 0.0001 0.0001
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.037 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.2369 0.2369
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0029 0.0001 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0029 0.0001 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0001 0.5
Onchocerca volvulus 0.011 0.2369 0.2368
Trypanosoma brucei prolyl endopeptidase 0.0029 0.0001 0.0005
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0029 0.0001 0.0005
Loa Loa (eye worm) prolyl oligopeptidase 0.0029 0.0001 0.0001
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0029 0.0001 0.0005
Trypanosoma brucei oligopeptidase b 0.0029 0.0001 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0001 0.0005
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.037 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0125 0.2792 1
Loa Loa (eye worm) prolyl oligopeptidase 0.037 1 1
Loa Loa (eye worm) norepinephrine transporter 0.011 0.2369 0.2369
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0001 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0001 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0125 0.2792 0.2792
Loa Loa (eye worm) hypothetical protein 0.011 0.2369 0.2369
Giardia lamblia Alanyl dipeptidyl peptidase 0.0029 0.0001 0.5
Trypanosoma brucei prolyl oligopeptidase, putative 0.0029 0.0001 0.0005
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0125 0.2792 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0001 0.0001
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0001 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.011 0.2369 0.2368
Brugia malayi hypothetical protein 0.0095 0.1931 0.1931
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0125 0.2792 1
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0001 0.0001
Entamoeba histolytica hypothetical protein, conserved 0.0029 0.0001 0.5
Mycobacterium tuberculosis Probable peptidase 0.0029 0.0001 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.0125 0.2792 0.2791
Leishmania major oligopeptidase b 0.0029 0.0001 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.011 0.2369 0.2369
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.011 0.2369 0.2368
Plasmodium falciparum peptidase, putative 0.0029 0.0001 0.5
Loa Loa (eye worm) serotonin transporter b 0.011 0.2369 0.2369
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0029 0.0001 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0029 0.0001 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0125 0.2792 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0029 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.2369 0.2369
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0029 0.0001 0.0005
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0.0001 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0029 0.0001 0.5
Echinococcus multilocularis serotonin transporter 0.011 0.2369 0.2368
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0125 0.2792 1
Treponema pallidum sodium- and chloride- dependent transporter 0.011 0.2369 0.5
Echinococcus granulosus serotonin transporter 0.011 0.2369 0.2368
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.037 1 1
Trypanosoma cruzi oligopeptidase b 0.0029 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0029 0.0001 0.0001
Trypanosoma cruzi oligopeptidase b 0.0029 0.0001 0.0005
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0.0001 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0029 0.0001 0.0005
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0125 0.2792 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.1931 0.1931
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0001 0.0001
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0.0001 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0125 0.2792 0.2791
Trypanosoma cruzi prolyl endopeptidase 0.0029 0.0001 0.0005
Loa Loa (eye worm) solute carrier family 6 member 4 0.011 0.2369 0.2369
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0029 0.0001 0.0005
Brugia malayi prolyl oligopeptidase family protein 0.0029 0.0001 0.0001
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0125 0.2792 0.2791
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0001 0.0005
Giardia lamblia Alanyl dipeptidyl peptidase 0.0029 0.0001 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.037 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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