Detailed information for compound 1277899

Basic information

Technical information
  • TDR Targets ID: 1277899
  • Name: 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-1H-[1, 2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
  • MW: 347.371 | Formula: C19H17N5O2
  • H donors: 2 H acceptors: 4 LogP: 2.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1ccccc1C
  • InChi: 1S/C19H17N5O2/c1-12-7-5-6-10-14(12)17(26)21-18-22-19-20-16(25)11-15(24(19)23-18)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H2,20,21,22,23,25,26)
  • InChiKey: JIGQQFHWZNUXHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-keto-7-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methyl-benzamide
  • 2-Methyl-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-benzamide
  • MLS000557885
  • SMR000148601

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
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.061 0.061
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Entamoeba histolytica hypothetical protein 0.0042 0.061 0.3191
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0273 0.0273
Brugia malayi CXXC zinc finger family protein 0.0033 0.0473 0.0473
Schistosoma mansoni cpg binding protein 0.0035 0.0504 0.0504
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.1911 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0015 0.0167 0.0167
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.1911 1
Brugia malayi hypothetical protein 0.0042 0.061 0.061
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.1911 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0015 0.0176 0.0176
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0065 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0794 0.0794
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0203 0.0203
Schistosoma mansoni cpg binding protein 0.0033 0.0473 0.0473
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.1911 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Loa Loa (eye worm) phosphofructokinase 0.0122 0.1911 0.1911
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0466 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0122 0.1911 1
Leishmania major ATP-dependent phosphofructokinase 0.0122 0.1911 0.1911
Schistosoma mansoni ap endonuclease 0.0021 0.0273 0.0273
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0273 0.1431
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0273 0.0273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0042 0.061 0.3191
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.023 0.3675 0.3675
Loa Loa (eye worm) histone methyltransferase 0.001 0.0099 0.0099
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0619 1 1
Echinococcus granulosus lamin 0.0031 0.044 0.044
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0466 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Echinococcus multilocularis dnaJ subfamily B 0.0475 0.765 0.765
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0065 0.0065
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0065 0.0065
Echinococcus granulosus dnaJ subfamily B 0.0475 0.765 0.765
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0273 0.0273
Echinococcus multilocularis lamin 0.0031 0.044 0.044
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0273 0.1431
Loa Loa (eye worm) intermediate filament protein 0.0031 0.044 0.044
Toxoplasma gondii exonuclease III APE 0.0021 0.0273 0.0273
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0065 0.0065
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0273 0.1431
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0273 0.587
Schistosoma mansoni ap endonuclease 0.0021 0.0273 0.0273
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0794 0.0794
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Echinococcus granulosus lamin dm0 0.0031 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0031 0.044 0.044
Schistosoma mansoni hypothetical protein 0.0042 0.061 0.061
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0466 0.0466
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0054 0.0281
Brugia malayi phosphofructokinase 0.0122 0.1911 0.1911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0794 0.0794
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0099 0.0099
Entamoeba histolytica hypothetical protein 0.0042 0.061 0.3191
Loa Loa (eye worm) 6-phosphofructokinase 0.0122 0.1911 0.1911
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0176 0.0176
Echinococcus multilocularis cpg binding protein 0.0035 0.0504 0.0504
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0122 0.1911 0.1911
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.023 0.3675 0.3675
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.108 0.108
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0466 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.023 0.3675 0.3675
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0466 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0273 0.5
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0466 0.2437
Brugia malayi intermediate filament protein 0.0031 0.044 0.044
Schistosoma mansoni intermediate filament proteins 0.0031 0.044 0.044
Echinococcus granulosus 6 phosphofructokinase 0.0122 0.1911 0.1911
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0203 0.0203
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.044 0.044
Onchocerca volvulus 0.0031 0.044 0.9301
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.1911 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0054 0.0281
Mycobacterium ulcerans 6-phosphofructokinase 0.0122 0.1911 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0958 0.0958
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0096 0.0096
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Echinococcus multilocularis lamin dm0 0.0031 0.044 0.044
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0466 0.0466
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0033 0.0466 0.2437
Toxoplasma gondii fructose-bisphospatase II 0.0619 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Schistosoma mansoni lamin 0.0031 0.044 0.044
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0273 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.044 0.044
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0176 0.0176
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.023 0.3675 0.3675
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0273 0.1431
Schistosoma mansoni lamin 0.0031 0.044 0.044
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0473 0.0473
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0273 0.0273
Entamoeba histolytica hypothetical protein 0.0042 0.061 0.3191
Trichomonas vaginalis helicase, putative 0.0008 0.0054 0.0281
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0619 1 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0619 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0504 0.0504
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0619 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0122 0.1911 1
Brugia malayi 6-phosphofructokinase 0.0122 0.1911 0.1911
Onchocerca volvulus 0.0031 0.044 0.9301
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0794 0.0794
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Echinococcus multilocularis 6 phosphofructokinase 0.0122 0.1911 0.1911
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0619 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.1911 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.061 0.061
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Toxoplasma gondii fructose-bisphospatase I 0.023 0.3675 0.3675
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0122 0.1911 0.1911
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0466 0.0466
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0273 0.587
Schistosoma mansoni hypothetical protein 0.0475 0.765 0.765
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0794 0.0794
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.061 0.061
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0273 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Loa Loa (eye worm) hypothetical protein 0.0015 0.0167 0.0167
Schistosoma mansoni 6-phosphofructokinase 0.0122 0.1911 0.1911
Echinococcus multilocularis musashi 0.0031 0.044 0.044
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0273 0.0273
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0466 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0619 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.1911 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.043 0.043
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0122 0.1911 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0054 0.0281
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0794 0.0794
Echinococcus granulosus cpg binding protein 0.0035 0.0504 0.0504
Brugia malayi 6-phosphofructokinase 0.0122 0.1911 0.1911
Onchocerca volvulus 0.0033 0.0473 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0466 0.2437
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0619 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0466 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0794 0.0794
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0273 0.1431
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0054 0.0281
Echinococcus granulosus intermediate filament protein 0.0031 0.044 0.044
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0099 0.0099
Leishmania major 0.0619 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0794 0.0794
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0466 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0466 0.2437
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0794 0.0794
Loa Loa (eye worm) 6-phosphofructokinase 0.0122 0.1911 0.1911
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0273 0.587
Schistosoma mansoni 6-phosphofructokinase 0.0122 0.1911 0.1911

Activities

Activity type Activity value Assay description Source 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
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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