Detailed information for compound 763391

Basic information

Technical information
  • TDR Targets ID: 763391
  • Name: 3-(4-Methoxy-benzylsulfanyl)-6-methyl-[1,2,4] triazin-5-ol
  • MW: 263.316 | Formula: C12H13N3O2S
  • H donors: 1 H acceptors: 4 LogP: 1.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CSc1nnc(c(n1)O)C
  • InChi: 1S/C12H13N3O2S/c1-8-11(16)13-12(15-14-8)18-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,15,16)
  • InChiKey: XWQQJVMHAPYNBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BAS 04280326
  • ZINC02486840
  • EU-0016861

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
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0012 0.5
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0035 0.0235 0.0209
Mycobacterium ulcerans hypothetical protein 0.0024 0.0088 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0048 0.0392 0.0434
Loa Loa (eye worm) hypothetical protein 0.01 0.1045 0.3589
Echinococcus multilocularis geminin 0.0169 0.1923 0.1902
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0088 0.5
Onchocerca volvulus 0.0048 0.0396 0.2744
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0026 0.1822
Loa Loa (eye worm) hypothetical protein 0.0032 0.0186 0.0605
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0107 1
Leishmania major hypothetical protein, conserved 0.002 0.0043 0.2082
Echinococcus multilocularis microtubule associated protein 2 0.069 0.8479 0.8475
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2767 0.2748
Echinococcus granulosus poly (ADP ribose) polymerase 0.0024 0.0091 0.0077
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0396 0.1294
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0085 0.0856 0.0832
Loa Loa (eye worm) hypothetical protein 0.0149 0.167 0.5763
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2767 0.3243
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0186 0.019
Schistosoma mansoni hypothetical protein 0.0032 0.0186 0.019
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0154 0.1731 1
Echinococcus multilocularis muscleblind protein 0.0149 0.167 0.1648
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0088 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.167 0.5763
Leishmania major hypothetical protein, conserved 0.0025 0.0107 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0088 0.0362
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0186 0.056
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0107 1
Schistosoma mansoni hypothetical protein 0.0068 0.0647 0.0735
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0154 0.1731 0.2018
Echinococcus granulosus WGR domain containing protein 0.0048 0.0392 0.0434
Onchocerca volvulus 0.0024 0.0088 0.0349
Loa Loa (eye worm) hypothetical protein 0.0085 0.0856 0.2934
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0088 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0088 0.0216
Trypanosoma cruzi DNA repair protein, putative 0.002 0.0043 0.0202
Echinococcus granulosus muscleblind protein 0.0149 0.167 0.1945
Schistosoma mansoni microtubule-associated protein tau 0.069 0.8479 1
Brugia malayi Muscleblind-like protein 0.0149 0.167 0.5743
Echinococcus granulosus poly ADP ribose polymerase 1 0.0154 0.1731 0.2018
Schistosoma mansoni hypothetical protein 0.0169 0.1923 0.2244
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.002 0.0043 0.0202
Schistosoma mansoni survival motor neuron protein 0.0048 0.0396 0.0438
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0026 0.1457
Entamoeba histolytica hypothetical protein 0.0036 0.0242 0.1268
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0026 0.2958
Schistosoma mansoni hypothetical protein 0.0032 0.0186 0.019
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0088 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0186 0.0161
Echinococcus granulosus poly adp ribose polymerase 2 0.0085 0.0856 0.0982
Entamoeba histolytica hypothetical protein 0.0036 0.0242 0.1268
Brugia malayi WGR domain containing protein 0.0154 0.1731 0.5957
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0242 0.0217
Echinococcus granulosus poly (ADP ribose) polymerase 0.0024 0.0091 0.0077
Schistosoma mansoni hypothetical protein 0.0169 0.1923 0.2244
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0107 0.0971
Echinococcus granulosus poly (ADP ribose) polymerase 0.0024 0.0091 0.0077
Onchocerca volvulus Huntingtin homolog 0.0123 0.1332 1
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.002 0.0043 0.0202
Echinococcus granulosus GPCR family 2 0.0032 0.0186 0.019
Brugia malayi hypothetical protein 0.0123 0.1332 0.4561
Trypanosoma brucei poly(adp-ribose) polymerase 0.0085 0.0856 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0246 0.2889 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0073 0.0712 0.0812
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0154 0.1731 0.171
Schistosoma mansoni hypothetical protein 0.0048 0.0396 0.0438
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0088 0.766
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0262
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0088 0.0216
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0026 0.1457
Loa Loa (eye worm) hypothetical protein 0.0068 0.0647 0.2208
Loa Loa (eye worm) hypothetical protein 0.0246 0.2889 1
Entamoeba histolytica hypothetical protein 0.0036 0.0242 0.1268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1045 0.3558
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0026 0.5
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0085 0.0856 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0088 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.1332 0.4587
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0186 0.0161
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0026 0.0048
Brugia malayi WGR domain containing protein 0.0085 0.0856 0.29
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0107 1
Schistosoma mansoni hypothetical protein 0.0032 0.0186 0.019
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.016 0.1807 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0186 0.056
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0262
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0242 0.0256
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0106
Schistosoma mansoni hypothetical protein 0.0036 0.0242 0.0256
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0026 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0242 0.0256
Schistosoma mansoni hypothetical protein 0.0032 0.0186 0.019
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0107 0.0971
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0085 0.0856 0.0982
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0088 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0088 1
Trypanosoma brucei DNA repair protein, putative 0.002 0.0043 0.0202
Brugia malayi hypothetical protein 0.0036 0.0242 0.0755
Entamoeba histolytica hypothetical protein 0.0036 0.0242 0.1268
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0088 0.766
Echinococcus multilocularis muscleblind protein 1 0.0149 0.167 0.1648
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1045 0.3558
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0088 0.766
Brugia malayi hypothetical protein 0.0237 0.2767 0.9573
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0647 0.217
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0186 0.0161
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0026 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0186 0.019
Loa Loa (eye worm) hypothetical protein 0.0237 0.2767 0.9575
Onchocerca volvulus Huntingtin homolog 0.0123 0.1332 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0088 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0107 0.0452
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0328
Loa Loa (eye worm) hypothetical protein 0.0117 0.1268 0.4364
Leishmania major DNA repair protein, putative 0.002 0.0043 0.2082
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0088 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0088 0.0216
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0026 0.5
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0061 0.0555 0.1885
Brugia malayi hypothetical protein 0.0025 0.0107 0.0281
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0088 1
Entamoeba histolytica hypothetical protein 0.0024 0.0091 0.038
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0088 0.0362
Loa Loa (eye worm) hypothetical protein 0.0024 0.0088 0.0262
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0107 0.0971
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0012 0.139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1045 0.3589
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0186 0.0605
Loa Loa (eye worm) hypothetical protein 0.0123 0.1332 0.4587
Echinococcus granulosus microtubule associated protein 2 0.069 0.8479 1
Echinococcus granulosus geminin 0.0169 0.1923 0.2244
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0085 0.0856 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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