Detailed information for compound 694529

Basic information

Technical information
  • TDR Targets ID: 694529
  • Name: N-(3-chloro-4-methylphenyl)-2-[(6-methyl-5-ox o-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
  • MW: 324.786 | Formula: C13H13ClN4O2S
  • H donors: 2 H acceptors: 5 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(c(n1)O)C
  • InChi: 1S/C13H13ClN4O2S/c1-7-3-4-9(5-10(7)14)15-11(19)6-21-13-16-12(20)8(2)17-18-13/h3-5H,6H2,1-2H3,(H,15,19)(H,16,18,20)
  • InChiKey: YQTPLKMNPILZDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-methyl-phenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
  • N-(3-chloro-4-methylphenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]acetamide
  • N-(3-chloro-4-methyl-phenyl)-2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]acetamide
  • N-(3-chloro-4-methyl-phenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide
  • Oprea1_665974
  • ZINC01281498
  • STK122625

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
Toxoplasma gondii NAC domain-containing protein 0.0032 0.069 0.4254
Echinococcus multilocularis musashi 0.0025 0.0444 0.0429
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0444 0.0448
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.069 1
Echinococcus multilocularis muscleblind protein 1 0.0307 0.9914 0.9914
Leishmania major developmentally regulated phosphoprotein-like protein 0.0115 0.3476 1
Schistosoma mansoni hypothetical protein 0.0185 0.5799 1
Schistosoma mansoni hypothetical protein 0.0031 0.0663 0.0987
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0021 0.0334 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0014 0.01 0.0085
Echinococcus granulosus geminin 0.0185 0.5799 0.5793
Loa Loa (eye worm) hypothetical protein 0.0076 0.217 0.2189
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.069 1
Loa Loa (eye worm) ICD-1 protein 0.0032 0.069 0.0696
Echinococcus granulosus intermediate filament protein 0.0025 0.0444 0.0429
Brugia malayi beta-NAC-like protein 0.0032 0.069 0.064
Loa Loa (eye worm) hypothetical protein 0.0307 0.9914 1
Brugia malayi intermediate filament protein 0.0025 0.0444 0.0391
Onchocerca volvulus 0.0076 0.217 1
Schistosoma mansoni pyruvate dehydrogenase 0.0115 0.3476 0.5924
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0021 0.0334 1
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0334 0.0022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.1147 0.1104
Schistosoma mansoni pyruvate dehydrogenase 0.0109 0.3261 0.5547
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0444 0.0391
Echinococcus multilocularis geminin 0.0185 0.5799 0.5793
Echinococcus granulosus muscleblind protein 0.0307 0.9914 0.9914
Trypanosoma brucei developmentally regulated phosphoprotein 0.0115 0.3476 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0327 0.0272
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0334 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.3476 0.3507
Brugia malayi Muscleblind-like protein 0.0307 0.9914 1
Echinococcus granulosus lamin 0.0025 0.0444 0.0429
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0014 0.01 0.0085
Loa Loa (eye worm) hypothetical protein 0.0025 0.0444 0.0448
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0101
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.004 0.0965 0.7482
Echinococcus multilocularis L aminoadipate semialdehyde 0.0076 0.217 0.2159
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.004 0.0965 0.2026
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0334 0.0192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0663 0.0668
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0115 0.3476 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0327 0.033
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0047 0.118 1
Trypanosoma cruzi transcription factor btf3, putative 0.0032 0.069 0.1152
Echinococcus multilocularis GPCR, family 2 0.0014 0.01 0.0085
Schistosoma mansoni hypothetical protein 0.0185 0.5799 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.069 1
Brugia malayi latrophilin 2 splice variant baaae 0.0031 0.0663 0.0612
Plasmodium vivax basic transcription factor 3b, putative 0.0032 0.069 1
Schistosoma mansoni lamin 0.0025 0.0444 0.0604
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0021 0.0334 1
Echinococcus multilocularis muscleblind protein 0.0307 0.9914 0.9914
Leishmania major basic transcription factor 3a, putative 0.0032 0.069 0.1152
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0021 0.0334 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0014 0.01 0.0101
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0013 0.0059 0.006
Schistosoma mansoni ap endonuclease 0.0021 0.0327 0.0398
Leishmania major phosphopantetheinyl transferase-like protein 0.0021 0.0334 0.0022
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0115 0.3476 0.3466
Echinococcus granulosus L aminoadipate semialdehyde 0.0076 0.217 0.2159
Echinococcus granulosus GPCR family 2 0.0014 0.01 0.0085
Schistosoma mansoni ap endonuclease 0.0021 0.0327 0.0398
Echinococcus granulosus transcription factor btf3 0.0032 0.069 0.0676
Schistosoma mansoni cellular tumor antigen P53 0.0045 0.1135 0.1816
Schistosoma mansoni lamin 0.0025 0.0444 0.0604
Entamoeba histolytica hypothetical protein 0.0021 0.0334 0.0192
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.1147 0.1104
Trypanosoma cruzi transcription factor btf3, putative 0.0032 0.069 0.1152
Echinococcus granulosus lamin dm0 0.0025 0.0444 0.0429
Onchocerca volvulus 0.0045 0.1135 0.4004
Loa Loa (eye worm) hypothetical protein 0.0045 0.1135 0.1145
Entamoeba histolytica transcription factor BTF3, putative 0.0032 0.069 1
Echinococcus multilocularis lamin dm0 0.0025 0.0444 0.0429
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0021 0.0334 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.004 0.0965 0.2026
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.1147 0.1157
Schistosoma mansoni intermediate filament proteins 0.0025 0.0444 0.0604
Loa Loa (eye worm) hypothetical protein 0.0024 0.0429 0.0433
Echinococcus multilocularis transcription factor btf3 0.0032 0.069 0.0676
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0021 0.0334 0.0082
Trypanosoma brucei transcription factor BTF3, putative 0.0032 0.069 0.1152
Loa Loa (eye worm) hypothetical protein 0.0046 0.1147 0.1157
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0327 0.0312
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0444 0.0448
Schistosoma mansoni pyruvate dehydrogenase 0.0109 0.3261 0.5547
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.004 0.0965 0.2026
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0014 0.01 0.0085
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0327 0.0312
Brugia malayi kinase, mitochondrial precursor 0.0115 0.3476 0.3468
Echinococcus multilocularis tumor protein p63 0.031 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0327 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0021 0.0334 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0015
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0021 0.0334 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0032 0.069 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0076 0.217 0.3633
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0115 0.3476 0.3466
Schistosoma mansoni transcription factor btf3 0.0032 0.069 0.1035
Brugia malayi Latrophilin receptor protein 2 0.0014 0.01 0.0041
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0334 0.0192
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0076 0.217 0.2142
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0014 0.01 0.0085
Echinococcus multilocularis lamin 0.0025 0.0444 0.0429
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0115 0.3476 0.3466
Loa Loa (eye worm) hypothetical protein 0.0307 0.9914 1
Entamoeba histolytica hypothetical protein 0.0032 0.069 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0014 0.01 0.0041

Activities

No activities found for this compound.

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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