Detailed information for compound 1409366

Basic information

Technical information
  • TDR Targets ID: 1409366
  • Name: 2-[[5,6-di(phenyl)-1,2,4-triazin-3-yl]sulfany l]-N-(2-methoxyethyl)acetamide
  • MW: 380.463 | Formula: C20H20N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CSc1nnc(c(n1)c1ccccc1)c1ccccc1
  • InChi: 1S/C20H20N4O2S/c1-26-13-12-21-17(25)14-27-20-22-18(15-8-4-2-5-9-15)19(23-24-20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,25)
  • InChiKey: LLUOSUGZUXDFMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5,6-di(phenyl)-1,2,4-triazin-3-yl]thio]-N-(2-methoxyethyl)acetamide
  • 2-[[5,6-di(phenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)ethanamide
  • ZINC03484146
  • T5681149
  • MLS001005760
  • SMR000384039

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Onchocerca volvulus 0.1326 0.1447 0.1797
Loa Loa (eye worm) hypothetical protein 0.4434 0.8051 0.8045
Schistosoma mansoni serine/threonine protein kinase 0.2953 0.4904 0.7556
Echinococcus multilocularis serine:threonine protein kinase N2 0.149 0.1795 0.2717
Entamoeba histolytica protein kinase, putative 0.0918 0.058 0.1668
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.1349 0.1497 0.2192
Onchocerca volvulus 0.0668 0.005 0.0062
Schistosoma mansoni protein kinase C 0.0768 0.0263 0.0332
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0691 0.01 0.0078
Echinococcus multilocularis raf serine:threonine protein kinase 0.0691 0.01 0.0078
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0715 0.015 0.0155
Echinococcus multilocularis Diacylglycerol kinase theta 0.0691 0.01 0.0078
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0768 0.0263 0.0332
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus granulosus protein kinase c eta type 0.0691 0.01 0.0078
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0691 0.01 0.0072
Schistosoma mansoni hypothetical protein 0.0691 0.01 0.0078
Schistosoma mansoni protein kinase C mu 0.0691 0.01 0.0078
Brugia malayi Hr1 repeat family protein 0.149 0.1795 0.266
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0768 0.0263 0.0332
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0918 0.058 0.0826
Loa Loa (eye worm) AGC/PKN protein kinase 0.149 0.1795 0.1772
Schistosoma mansoni serine/threonine protein kinase 0.3692 0.6473 1
Echinococcus granulosus unc 13 munc13 0.0768 0.0263 0.0332
Brugia malayi Protein kinase domain containing protein 0.0918 0.058 0.0754
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0918 0.058 0.0826
Entamoeba histolytica protein kinase, putative 0.0936 0.062 0.1805
Echinococcus multilocularis protein kinase c epsilon type 0.3692 0.6473 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.1349 0.1497 0.1473
Brugia malayi Pleckstrin Homology Domain 0.071 0.0139 0.0062
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.2028 0.294 0.292
Schistosoma mansoni vav2 0.071 0.0139 0.0139
Brugia malayi p70 ribosomal S6 kinase beta 0.0918 0.058 0.0754
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0918 0.058 0.0826
Echinococcus granulosus raf serine:threonine protein kinase 0.0691 0.01 0.0078
Brugia malayi protein kinase C3,putative 0.0715 0.015 0.0078
Loa Loa (eye worm) hypothetical protein 0.0768 0.0263 0.0235
Loa Loa (eye worm) hypothetical protein 0.1326 0.1447 0.1423
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0918 0.058 0.0826
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0715 0.015 0.0155
Trichomonas vaginalis AGC family protein kinase 0.0918 0.058 0.5576
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0918 0.058 0.0826
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0691 0.01 0.0078
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Loa Loa (eye worm) hypothetical protein 0.071 0.0139 0.0111
Trypanosoma brucei rac serine-threonine kinase, putative 0.0936 0.062 0.5
Loa Loa (eye worm) raf kinase 0.0691 0.01 0.0072
Echinococcus granulosus NDR protein kinase 0.0918 0.058 0.0826
Echinococcus granulosus Protein kinase C brain isozyme 0.2953 0.4904 0.7556
Schistosoma mansoni serine/threonine kinase 0.0918 0.058 0.0826
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0918 0.058 0.0826
Echinococcus multilocularis RNA directed DNA polymerase 0.1267 0.1322 0.1981
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0918 0.058 0.0826
Schistosoma mansoni serine/threonine protein kinase 0.149 0.1795 0.2717
Brugia malayi C1-like domain containing protein 0.1349 0.1497 0.2192
Schistosoma mansoni rac gtpase activating protein 0.0691 0.01 0.0078
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0691 0.01 0.0072
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.1367 0.1536 0.1512
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0918 0.058 0.0554
Loa Loa (eye worm) hypothetical protein 0.4434 0.8051 0.8045
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0691 0.01 0.0078
Entamoeba histolytica protein kinase, putative 0.0936 0.062 0.1805
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0691 0.01 0.0072
Echinococcus multilocularis unc 13 (munc13) 0.0768 0.0263 0.0332
Echinococcus granulosus myotubularin protein 13 0.071 0.0139 0.0139
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus granulosus RNA directed DNA polymerase 0.1267 0.1322 0.1981
Echinococcus granulosus protein kinase C gamma type 0.2261 0.3435 0.527
Loa Loa (eye worm) hypothetical protein 0.1344 0.1487 0.1462
Loa Loa (eye worm) hypothetical protein 0.4434 0.8051 0.8045
Echinococcus multilocularis protein kinase c iota type 0.1609 0.2049 0.3112
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0918 0.058 0.0554
Schistosoma mansoni diacylglycerol kinase theta 0.0691 0.01 0.0078
Echinococcus granulosus serine:threonine protein kinase N2 0.149 0.1795 0.2717
Echinococcus multilocularis Rac GTPase activating protein 1 0.0691 0.01 0.0078
Brugia malayi Protein kinase domain containing protein 0.0918 0.058 0.0754
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.3692 0.6473 0.6463
Echinococcus multilocularis protein kinase c eta type 0.0691 0.01 0.0078
Brugia malayi Protein kinase domain containing protein 0.0936 0.062 0.0816
Brugia malayi Protein kinase c protein 2 0.2059 0.3004 0.4557
Toxoplasma gondii AGC kinase 0.0918 0.058 1
Loa Loa (eye worm) hypothetical protein 0.1267 0.1322 0.1298
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0918 0.058 0.0554
Brugia malayi Protein kinase domain containing protein 0.0715 0.015 0.0078
Loa Loa (eye worm) AGC/NDR protein kinase 0.0918 0.058 0.0554
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0918 0.058 0.0826
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus granulosus Diacylglycerol kinase theta 0.0691 0.01 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.2953 0.4904 0.7556
Entamoeba histolytica PH domain containing protein kinase, putative 0.2048 0.2981 1
Echinococcus granulosus protein kinase c iota type 0.1609 0.2049 0.3112
Loa Loa (eye worm) hypothetical protein 0.1958 0.2791 0.2771
Onchocerca volvulus 0.4434 0.8051 1
Echinococcus granulosus N chimaerin 0.0691 0.01 0.0078
Loa Loa (eye worm) hypothetical protein 0.0691 0.01 0.0072
Echinococcus multilocularis myotubularin protein 13 0.071 0.0139 0.0139
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.1267 0.1322 0.1981
Schistosoma mansoni unc-13 (munc13) 0.0768 0.0263 0.0332
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus multilocularis serine threonine protein kinase 0.2261 0.3435 0.527
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Schistosoma mansoni unc-13 (munc13) 0.0768 0.0263 0.0332
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0691 0.01 0.0078
Entamoeba histolytica protein kinase, putative 0.0918 0.058 0.1668
Onchocerca volvulus 0.0768 0.0263 0.0327
Echinococcus granulosus serine:threonine protein kinase N2 0.2029 0.2942 0.4502
Schistosoma mansoni serine/threonine protein kinase 0.0691 0.01 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.0715 0.015 0.0155
Schistosoma mansoni atypical protein kinase C 0.1609 0.2049 0.3112
Echinococcus multilocularis serine:threonine protein kinase N2 0.2924 0.4841 0.746
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0918 0.058 0.0826
Trichomonas vaginalis AGC family protein kinase 0.0918 0.058 0.5576
Brugia malayi protein kinase C II. 0.3692 0.6473 1
Brugia malayi Protein kinase domain containing protein 0.2028 0.294 0.4456
Onchocerca volvulus 0.1344 0.1487 0.1846
Loa Loa (eye worm) AGC/AKT protein kinase 0.0936 0.062 0.0594
Echinococcus granulosus protein kinase c epsilon type 0.3692 0.6473 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0715 0.015 0.0122
Loa Loa (eye worm) hypothetical protein 0.5126 0.9519 0.9518
Echinococcus granulosus Rac GTPase activating protein 1 0.0691 0.01 0.0078
Trichomonas vaginalis AGC family protein kinase 0.0918 0.058 0.5576
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0918 0.058 0.0554
Loa Loa (eye worm) RasGEF domain-containing protein 0.0691 0.01 0.0072
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Echinococcus multilocularis N chimaerin 0.0691 0.01 0.0078
Echinococcus multilocularis Protein kinase C, brain isozyme 0.2953 0.4904 0.7556
Schistosoma mansoni protein kinase C mu 0.1349 0.1497 0.2253
Trichomonas vaginalis AGC family protein kinase 0.0936 0.062 1
Schistosoma mansoni serine/threonine protein kinase 0.0715 0.015 0.0155
Echinococcus multilocularis serine:threonine protein kinase 38 0.0918 0.058 0.0826
Schistosoma mansoni diacylglycerol kinase theta 0.0691 0.01 0.0078

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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