Detailed information for compound 1584416

Basic information

Technical information
  • TDR Targets ID: 1584416
  • Name: N,N-diethyl-2-[[4-(phenylmethyl)-5-pyridin-2- yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • MW: 381.495 | Formula: C20H23N5OS
  • H donors: 0 H acceptors: 4 LogP: 2.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)CSc1nnc(n1Cc1ccccc1)c1ccccn1)CC
  • InChi: 1S/C20H23N5OS/c1-3-24(4-2)18(26)15-27-20-23-22-19(17-12-8-9-13-21-17)25(20)14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
  • InChiKey: WHDUVRMMFPANQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-diethyl-2-[[4-(phenylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N,N-diethyl-2-[[4-(phenylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide
  • 2-[[4-(benzyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide
  • N,N-diethyl-2-[[4-(phenylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • 2-(4-Benzyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N,N-diethyl-acetamide
  • MLS000121927
  • SMR000119376
  • ZINC01362441
  • ASN 05942621

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
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.011 0.3075 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1627 0.3206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0129 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1627 0.3206
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1627 0.3206
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0378 0.4987
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0292 0.0576
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0813 0.1652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Schistosoma mansoni hypothetical protein 0.0019 0.0292 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Loa Loa (eye worm) RNA binding protein 0.0063 0.1627 0.2195
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0813 0.1603
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0378 0.0509
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.4923 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0292 0.0394
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0103 0.2867 0.565
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0628 0.0847
Brugia malayi Pre-SET motif family protein 0.0251 0.7413 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8477 0.8477
Loa Loa (eye worm) acetyltransferase 0.0175 0.5074 0.6845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0378 0.0509
Loa Loa (eye worm) hypothetical protein 0.006 0.1554 0.2096
Entamoeba histolytica hypothetical protein 0.003 0.0628 0.5071
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.097 0.1308
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1286 0.2612
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0379 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1627 0.3206
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7413 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0378 0.4987
Loa Loa (eye worm) hypothetical protein 0.0041 0.097 0.1308
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5074 0.6845
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1286 0.1286
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0628 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0378 0.0744
Schistosoma mansoni hypothetical protein 0.0041 0.097 0.1911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0378 0.5386
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0378 0.215
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0378 0.0744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1554 0.2096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1286 0.1286
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0292 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Schistosoma mansoni hypothetical protein 0.0019 0.0292 0.0576
Loa Loa (eye worm) hypothetical protein 0.0026 0.0499 0.0673
Loa Loa (eye worm) hypothetical protein 0.0019 0.0292 0.0394
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0628 0.1237
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0628 0.1237
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0628 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5074 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0292 0.0576
Echinococcus granulosus GPCR family 2 0.0019 0.0292 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Onchocerca volvulus 0.0286 0.8477 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0628 0.0628
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1627 0.3206
Brugia malayi TAR-binding protein 0.0063 0.1627 0.2195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1155 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0499 0.7623
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1286 1
Toxoplasma gondii FATC domain-containing protein 0.003 0.0628 0.4311
Echinococcus granulosus tar DNA binding protein 0.0063 0.1627 0.3304
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0813 0.5914
Brugia malayi RNA binding protein 0.0063 0.1627 0.2195
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0813 0.1603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.0086 0.0174
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0378 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1155 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.0086 0.0169
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0378 0.0509
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.0174
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0378 0.5386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.0086 0.0116
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1554 0.2096
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0813 0.1603
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0813 0.1603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5074 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0378 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1627 0.2195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0813 0.1097
Loa Loa (eye worm) loechrig isoform VII 0.011 0.3075 0.4149
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0292 0.0593
Brugia malayi Pre-SET motif family protein 0.0036 0.0813 0.1097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1627 0.3206
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0378 0.2731
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0813 0.1603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0292 0.0394
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0129 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0378 0.5386
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1286 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0773 0.1569
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0116
Schistosoma mansoni fkbp-rapamycin associated protein 0.0012 0.0086 0.0169
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0378 0.0744
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0379 0.541
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.011 0.3075 0.6246
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0378 0.0744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus granulosus serine protein kinase ATM 0.003 0.0628 0.1275
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0378 0.0767
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1554 0.2096
Schistosoma mansoni hypothetical protein 0.0019 0.0292 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1627 0.2195
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.011 0.3075 0.6061
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0378 0.5386
Schistosoma mansoni protein kinase subunit gamma 0.011 0.3075 0.6061
Schistosoma mansoni hypothetical protein 0.0019 0.0292 0.0576
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0378 0.4987
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1155 0.288
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0378 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1286 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0378 0.2731
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0292 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0086 0.0086
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1627 0.2195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0813 0.1603
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0378 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0378 0.0767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0378 0.0378
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0292 0.0394
Brugia malayi loechrig isoform VII 0.011 0.3075 0.4149

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

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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