Detailed information for compound 1201132

Basic information

Technical information
  • TDR Targets ID: 1201132
  • Name: N-[5,7-di(phenyl)-1,7-dihydro-[1,2,4]triazolo [1,5-a]pyrimidin-2-yl]-4-methylbenzamide
  • MW: 407.467 | Formula: C25H21N5O
  • H donors: 2 H acceptors: 3 LogP: 5.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)Nc1nc2n(n1)C(C=C(N2)c1ccccc1)c1ccccc1
  • InChi: 1S/C25H21N5O/c1-17-12-14-20(15-13-17)23(31)27-24-28-25-26-21(18-8-4-2-5-9-18)16-22(30(25)29-24)19-10-6-3-7-11-19/h2-16,22H,1H3,(H2,26,27,28,29,31)
  • InChiKey: ADKCUORTXGRMET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5,7-di(phenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methyl-benzamide
  • D413-0269
  • NCGC00119752-01
  • STOCK3S-88446

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.188 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0288 0.0288
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.188 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0664 0.0664
Loa Loa (eye worm) hypothetical protein 0.0054 0.7245 0.7245
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0288 0.0288
Mycobacterium ulcerans hypothetical protein 0.0026 0.188 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.2753 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0288 0.0288
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.2542 0.2542
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.188 0.5
Schistosoma mansoni tar DNA-binding protein 0.0069 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.188 1
Brugia malayi TAR-binding protein 0.0069 1 1
Echinococcus granulosus lamin dm0 0.0029 0.2542 0.2321
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.2542 0.2542
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.188 0.5
Schistosoma mansoni intermediate filament proteins 0.0029 0.2542 0.2321
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0664 0.5
Brugia malayi hypothetical protein 0.003 0.2753 0.2753
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.7245 0.7245
Loa Loa (eye worm) hypothetical protein 0.0019 0.0664 0.0664
Schistosoma mansoni lamin 0.0029 0.2542 0.2321
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 1
Echinococcus multilocularis musashi 0.0029 0.2542 0.2321
Echinococcus granulosus tar DNA binding protein 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.7245 0.7245
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.188 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.188 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.4025 0.4025
Schistosoma mansoni tar DNA-binding protein 0.0069 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2753 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.2753 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.188 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.7245 0.7245
Brugia malayi hypothetical protein 0.002 0.0738 0.0738
Schistosoma mansoni tar DNA-binding protein 0.0069 1 1
Echinococcus multilocularis lamin 0.0029 0.2542 0.2321
Loa Loa (eye worm) hypothetical protein 0.0019 0.0664 0.0664
Loa Loa (eye worm) intermediate filament protein 0.0029 0.2542 0.2542
Loa Loa (eye worm) hypothetical protein 0.0019 0.0664 0.0664
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.2753 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2753 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2753 0.2753
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.188
Schistosoma mansoni tar DNA-binding protein 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Onchocerca volvulus 0.0029 0.2542 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.4025 0.4025
Loa Loa (eye worm) hypothetical protein 0.0029 0.2442 0.2442
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.188 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.188 1
Loa Loa (eye worm) RNA binding protein 0.0069 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2753 0.5
Schistosoma mansoni lamin 0.0029 0.2542 0.2321
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.188
Loa Loa (eye worm) hypothetical protein 0.0017 0.0288 0.0288
Brugia malayi intermediate filament protein 0.0029 0.2542 0.2542
Loa Loa (eye worm) hypothetical protein 0.0029 0.2542 0.2542
Echinococcus granulosus intermediate filament protein 0.0029 0.2542 0.2321
Echinococcus multilocularis tar DNA binding protein 0.0069 1 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.188
Echinococcus multilocularis lamin dm0 0.0029 0.2542 0.2321
Schistosoma mansoni tar DNA-binding protein 0.0069 1 1
Loa Loa (eye worm) TAR-binding protein 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0664 0.0664
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2753 0.5
Echinococcus granulosus lamin 0.0029 0.2542 0.2321
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0664 0.139
Leishmania major hypothetical protein, conserved 0.003 0.2753 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.188 1
Schistosoma mansoni hypothetical protein 0.0037 0.4025 0.3848
Onchocerca volvulus 0.0029 0.2542 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 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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