Detailed information for compound 1216517

Basic information

Technical information
  • TDR Targets ID: 1216517
  • Name: 5,7-di(phenyl)-1,5,6,7-tetrahydro-[1,2,4]tria zolo[1,5-a]pyrimidine
  • MW: 276.336 | Formula: C17H16N4
  • H donors: 1 H acceptors: 2 LogP: 3.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C1Nc2ncnn2C(C1)c1ccccc1
  • InChi: 1S/C17H16N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-17(20-15)18-12-19-21/h1-10,12,15-16H,11H2,(H,18,19,20)
  • InChiKey: NGHCNFXRJGVWPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000054841
  • SMR000060330
  • 5,7-Diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
  • STOCK1S-61932
  • Oprea1_124376
  • 5,7-Diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
  • BAS 00444895
  • Oprea1_085285
  • EU-0042709

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Trichomonas vaginalis esterase, putative 0.0043 0.111 0.2681
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.111 0.2151
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.111 0.2681
Loa Loa (eye worm) hypothetical protein 0.0026 0.045 0.0872
Brugia malayi beta-NAC-like protein 0.0035 0.0778 0.1509
Echinococcus granulosus tar DNA binding protein 0.0063 0.1837 0.3075
Onchocerca volvulus 0.0043 0.111 0.1367
Echinococcus multilocularis lamin dm0 0.0027 0.0468 0.0713
Onchocerca volvulus 0.015 0.5159 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1837 0.3561
Echinococcus granulosus lamin 0.0027 0.0468 0.0713
Echinococcus granulosus intermediate filament protein 0.0027 0.0468 0.0713
Loa Loa (eye worm) hypothetical protein 0.0067 0.2014 0.3903
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0745 0.1444
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.2014 0.344
Brugia malayi beta-lactamase family protein 0.0043 0.111 0.2151
Echinococcus granulosus lamin dm0 0.0027 0.0468 0.0713
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1837 0.3138
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0101 0.329 0.5581
Brugia malayi beta-lactamase family protein 0.0043 0.111 0.2151
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.173 0.2955
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.2014 0.344
Loa Loa (eye worm) hypothetical protein 0.0034 0.0745 0.1444
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.111 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0468 0.0908
Loa Loa (eye worm) hypothetical protein 0.005 0.134 0.2597
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.111 0.2151
Entamoeba histolytica hypothetical protein 0.0035 0.0778 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1837 0.3561
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.173 1
Echinococcus granulosus geminin 0.0168 0.5851 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0778 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.1837 0.3561
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.111 0.2681
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.111 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.173 0.2891
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.111 0.2681
Schistosoma mansoni lamin 0.0027 0.0468 0.0797
Schistosoma mansoni transcription factor btf3 0.0035 0.0778 0.1328
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.173 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.134 0.2597
Loa Loa (eye worm) hypothetical protein 0.015 0.5159 1
Schistosoma mansoni hypothetical protein 0.0034 0.0745 0.1271
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1837 0.3075
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0055 0.0106
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.2014 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.329 0.5621
Schistosoma mansoni lamin 0.0027 0.0468 0.0797
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.329 0.5621
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.111 0.1894
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.111 0.2681
Schistosoma mansoni hypothetical protein 0.0168 0.5851 1
Schistosoma mansoni hypothetical protein 0.0168 0.5851 1
Toxoplasma gondii melibiase subfamily protein 0.0101 0.329 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Loa Loa (eye worm) beta-lactamase 0.0043 0.111 0.2151
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.173 0.2891
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.329 0.5621
Echinococcus multilocularis musashi 0.0027 0.0468 0.0713
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0778 0.5
Echinococcus multilocularis transcription factor btf3 0.0035 0.0778 0.1249
Schistosoma mansoni intermediate filament proteins 0.0027 0.0468 0.0797
Loa Loa (eye worm) hypothetical protein 0.0027 0.0468 0.0908
Brugia malayi RNA binding protein 0.0063 0.1837 0.3561
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0468 0.0908
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0101 0.329 0.5581
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.111 0.182
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.111 0.1894
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1837 0.3561
Onchocerca volvulus 0.0043 0.111 0.1367
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.111 1
Brugia malayi intermediate filament protein 0.0027 0.0468 0.0908
Leishmania major hypothetical protein, conserved 0.0043 0.111 0.3479
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.173 1
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0778 0.2362
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1837 0.3138
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0055 0.0106
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.009
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1837 0.3138
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1837 0.3138
Mycobacterium leprae conserved hypothetical protein 0.0043 0.111 0.5
Brugia malayi TAR-binding protein 0.0063 0.1837 0.3561
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.173 0.5257
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0778 0.1509
Brugia malayi beta-lactamase 0.0043 0.111 0.2151
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.173 1
Echinococcus multilocularis geminin 0.0168 0.5851 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.173 0.2955
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.111 0.2681
Brugia malayi Melibiase family protein 0.0067 0.2014 0.3903
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.134 0.2597
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0468 0.0908
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1837 0.3138
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.134 0.2597
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0101 0.329 0.5581
Mycobacterium leprae Probable lipase LipE 0.0043 0.111 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.111 0.3369
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0055 0.0106
Echinococcus multilocularis lamin 0.0027 0.0468 0.0713
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.173 0.0698
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.111 0.182
Onchocerca volvulus 0.0043 0.111 0.1367
Loa Loa (eye worm) hypothetical protein 0.0043 0.111 0.2151
Plasmodium vivax hypothetical protein, conserved 0.0043 0.111 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.329 0.5621
Brugia malayi hypothetical protein 0.015 0.5159 1
Echinococcus granulosus transcription factor btf3 0.0035 0.0778 0.1249
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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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