Detailed information for compound 723000

Basic information

Technical information
  • TDR Targets ID: 723000
  • Name: 3-[(4-fluorophenyl)methylamino]-6-methyl-2H-1 ,2,4-triazin-5-one
  • MW: 234.23 | Formula: C11H11FN4O
  • H donors: 2 H acceptors: 4 LogP: 1.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNc1nnc(c(n1)O)C
  • InChi: 1S/C11H11FN4O/c1-7-10(17)14-11(16-15-7)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,16,17)
  • InChiKey: JLZCJSLGFGTTBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-fluorobenzyl)amino]-6-methyl-2H-1,2,4-triazin-5-one
  • ST5208497
  • ZINC05009521

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 neprilysin 0.0025 0.0125 0.0051
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0648 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0096 0.2255 0.6932
Echinococcus multilocularis endothelin converting enzyme 1 0.0096 0.2255 0.2255
Loa Loa (eye worm) hypothetical protein 0.0096 0.2255 0.2197
Echinococcus multilocularis neutral amino acid transporter A 0.0128 0.322 0.322
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0368 0.0368
Schistosoma mansoni hypothetical protein 0.0171 0.45 0.4459
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.044 0.0368
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0138 0.0064
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1226 0.1226
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489
Brugia malayi Carboxylesterase family protein 0.0069 0.1441 0.4346
Echinococcus granulosus Excitatory amino acid transporter 0.0128 0.322 0.322
Echinococcus multilocularis excitatory amino acid transporter 2 0.0128 0.322 0.322
Brugia malayi Excitatory amino acid transporter 0.0128 0.322 1
Treponema pallidum glutamate transporter 0.0057 0.1078 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0057 0.1078 0.1078
Echinococcus multilocularis snurportin 1 0.0353 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1441 0.1377
Loa Loa (eye worm) hypothetical protein 0.0036 0.0447 0.0375
Echinococcus granulosus acetylcholinesterase 0.0069 0.1441 0.1441
Schistosoma mansoni glutamate receptor NMDA 0.0025 0.0138 0.0064
Mycobacterium ulcerans zinc metalloprotease 0.0096 0.2255 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.2255 0.2197
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1441 0.1441
Plasmodium falciparum importin beta, putative 0.0033 0.0368 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0138 0.0064
Schistosoma mansoni ATP-binding cassette transporter 0.0025 0.0138 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.044 0.044
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0648 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0025 0.0138 0.0138
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0648 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0648 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0447 0.5705
Echinococcus granulosus sodium:dicarboxylate symporter 0.0128 0.322 0.322
Loa Loa (eye worm) hypothetical protein 0.0069 0.1441 0.1377
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.5555
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0057 0.1078 0.1011
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0648 0.0648
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Loa Loa (eye worm) peptidase family M13 containing protein 0.0071 0.1502 0.1439
Echinococcus granulosus geminin 0.0171 0.45 0.45
Echinococcus granulosus excitatory amino acid transporter 2 0.0128 0.322 0.322
Brugia malayi hypothetical protein 0.0035 0.044 0.1161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2146 0.2087
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0648 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0025 0.0125 0.0051
Schistosoma mansoni hypothetical protein 0.0353 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0069 0.1441 0.1377
Loa Loa (eye worm) carboxylesterase 0.0069 0.1441 0.1377
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0041 0.0599 0.0599
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2146 0.2087
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1226 0.1226
Loa Loa (eye worm) hypothetical protein 0.0071 0.1502 0.1439
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2146 0.2087
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.0283 0.0283
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0096 0.2255 0.6434
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2146 0.2146
Echinococcus multilocularis geminin 0.0171 0.45 0.45
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0048 0.0827 0.0758
Plasmodium vivax importin-beta 2, putative 0.0033 0.0368 0.5
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1441 0.1377
Brugia malayi RNA, U transporter 1 0.0094 0.2203 0.6769
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0128 0.322 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1226 0.1226
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0128 0.322 0.322
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0041 0.0599 0.0599
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2146 0.2146
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489
Brugia malayi Inositol-1 0.0042 0.0648 0.1822
Loa Loa (eye worm) excitatory amino acid transporter 0.0128 0.322 0.3169
Echinococcus granulosus carboxylesterase 5A 0.0069 0.1441 0.1441
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.0283 0.0283
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0041 0.0599 0.0599
Schistosoma mansoni glutamate receptor NMDA 0.003 0.0283 0.021
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0447 0.0447
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0447 0.0447
Brugia malayi Importin beta-1 subunit 0.0033 0.0368 0.0933
Schistosoma mansoni neprilysin-2 (M13 family) 0.0048 0.0827 0.0758
Echinococcus multilocularis excitatory amino acid transporter 3 0.0128 0.322 0.322
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0128 0.322 0.322
Chlamydia trachomatis glutamate symporter 0.0128 0.322 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0025 0.0138 0.0138
Echinococcus granulosus excitatory amino acid transporter 2 0.0128 0.322 0.322
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0648 1
Echinococcus multilocularis neutral amino acid transporter A 0.0128 0.322 0.322
Brugia malayi Glutamate receptor 1 precursor 0.0025 0.0138 0.0202
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0447 0.5705
Mycobacterium leprae probable zinc metalloprotease 0.0096 0.2255 1
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1441 0.1441
Loa Loa (eye worm) peptidase family M13 containing protein 0.0071 0.1502 0.1439
Loa Loa (eye worm) hypothetical protein 0.0096 0.2255 0.2197
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0041 0.0599 0.0599
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0447 0.2814
Echinococcus granulosus importin subunit beta 1 0.0033 0.0368 0.0368
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0447 0.0447
Schistosoma mansoni hypothetical protein 0.0171 0.45 0.4459
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.5555
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0128 0.322 0.3169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2146 0.2087
Brugia malayi Carboxylesterase family protein 0.0069 0.1441 0.4346
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0447 0.0447
Schistosoma mansoni glutamate receptor kainate 0.0057 0.1081 0.1014
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0128 0.322 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0648 1
Loa Loa (eye worm) inositol-1 0.0042 0.0648 0.0577
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0138 0.0064
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489
Loa Loa (eye worm) hypothetical protein 0.0071 0.1502 0.1439
Schistosoma mansoni hypothetical protein 0.0025 0.0125 0.0051
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489
Loa Loa (eye worm) hypothetical protein 0.0033 0.0368 0.0296
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489
Loa Loa (eye worm) glutamate receptor 1 0.0025 0.0138 0.0064
Echinococcus multilocularis glutamate receptor 2 0.003 0.0283 0.0283
Echinococcus multilocularis Excitatory amino acid transporter 0.0128 0.322 0.322
Loa Loa (eye worm) hypothetical protein 0.0071 0.1502 0.1439
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0447 0.5705
Echinococcus granulosus neutral amino acid transporter A 0.0128 0.322 0.322
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0447 0.0375
Echinococcus granulosus endothelin converting enzyme 1 0.0096 0.2255 0.2255
Echinococcus multilocularis glutamate receptor 2 0.0025 0.0138 0.0138
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0447 0.5705
Toxoplasma gondii peptidase family M13 protein 0.0096 0.2255 1
Echinococcus granulosus glutamate receptor 2 0.003 0.0283 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0447 0.5705
Echinococcus multilocularis excitatory amino acid transporter 2 0.0128 0.322 0.322
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1226 0.1226
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0447 0.5705
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.044 0.044
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0447 0.0375
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2146 0.6587
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2146 0.2146
Echinococcus granulosus neutral amino acid transporter A 0.0128 0.322 0.322
Brugia malayi Peptidase family M13 containing protein 0.0096 0.2255 0.6932
Echinococcus multilocularis carboxylesterase 5A 0.0069 0.1441 0.1441
Loa Loa (eye worm) hypothetical protein 0.0071 0.1502 0.1439
Echinococcus granulosus excitatory amino acid transporter 3 0.0128 0.322 0.322
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0096 0.2255 0.2197
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1226 0.1226
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0648 0.1482
Echinococcus granulosus neutral amino acid transporter 0.0128 0.322 0.322
Loa Loa (eye worm) glutamate receptor 2 0.0025 0.0138 0.0064
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0057 0.1078 0.1011
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0447 0.0447
Schistosoma mansoni hypothetical protein 0.0035 0.044 0.0368
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0048 0.0827 0.0758
Echinococcus multilocularis Excitatory amino acid transporter 0.0128 0.322 0.322
Schistosoma mansoni glutamate receptor kainate 0.0057 0.1081 0.1014
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0048 0.0827 0.0758
Echinococcus granulosus acetylcholinesterase 0.0069 0.1441 0.1441
Echinococcus multilocularis neutral amino acid transporter A 0.0128 0.322 0.322
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0048 0.0827 0.0758
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0648 0.0648
Echinococcus granulosus Excitatory amino acid transporter 0.0128 0.322 0.322
Brugia malayi Glutamate receptor 2 precursor 0.0025 0.0138 0.0202
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.5555
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0447 0.1183
Schistosoma mansoni inositol monophosphatase 0.0042 0.0648 0.0577
Schistosoma mansoni inositol monophosphatase 0.0042 0.0648 0.0577
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.5555
Echinococcus multilocularis NMDA receptor 0.0041 0.0599 0.0599
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0057 0.1078 0.1078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2146 0.2146
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0047 0.08 0.0731
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0648 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0447 0.5705
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1226 0.1226
Schistosoma mansoni importin beta-1 0.0033 0.0368 0.0296
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0128 0.322 1
Treponema pallidum glutamate/aspartate transporter 0.0057 0.1078 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.1553 0.1489

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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