Detailed information for compound 1412283

Basic information

Technical information
  • TDR Targets ID: 1412283
  • Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-hydrazinyl- 2H-1,2,4-triazin-5-one
  • MW: 277.279 | Formula: C12H15N5O3
  • H donors: 3 H acceptors: 4 LogP: 0.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)Cc1nnc(nc1O)NN
  • InChi: 1S/C12H15N5O3/c1-19-9-4-3-7(6-10(9)20-2)5-8-11(18)14-12(15-13)17-16-8/h3-4,6H,5,13H2,1-2H3,(H2,14,15,17,18)
  • InChiKey: CMIUTAGQLBFYSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[(3,4-dimethoxyphenyl)methyl]-3-hydrazino-2H-1,2,4-triazin-5-one
  • 6-(3,4-dimethoxybenzyl)-3-hydrazino-2H-1,2,4-triazin-5-one
  • ZINC00503614
  • ZINC01607927
  • STOCK1S-85157
  • Oprea1_789609
  • NSC602112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.136 0.1467
Schistosoma mansoni bromodomain containing protein 0.0078 0.6296 0.8193
Schistosoma mansoni zinc finger protein 0.0026 0.1 0.0977
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.136 0.136
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0049 0.3366 0.4798
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.5862 0.5862
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.3136 0.4469
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.531 1
Schistosoma mansoni cpg binding protein 0.0039 0.234 0.2802
Loa Loa (eye worm) hypothetical protein 0.0046 0.3079 0.4388
Schistosoma mansoni hypothetical protein 0.0025 0.093 0.0881
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2784 0.2784
Echinococcus multilocularis peregrin 0.0038 0.2249 0.2249
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.3136 0.3886
Echinococcus granulosus jumonji domain containing protein 0.0049 0.3346 0.3346
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0496 0.029
Schistosoma mansoni cpg binding protein 0.0035 0.191 0.2216
Schistosoma mansoni hypothetical protein 0.0035 0.1963 0.2288
Echinococcus granulosus cpg binding protein 0.0039 0.234 0.234
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0572 0.0572
Echinococcus multilocularis zinc finger protein 0.0026 0.1 0.1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0496 0.029
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2784 0.2784
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2706 0.2706
Brugia malayi Bromodomain containing protein 0.0038 0.2249 0.2238
Giardia lamblia PHD finger protein 15 0.0035 0.1963 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.4486 0.6402
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1963 0.2789
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.3136 0.3886
Loa Loa (eye worm) hypothetical protein 0.0085 0.6999 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0449 0.0225
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.5811 0.7532
Brugia malayi Bromodomain containing protein 0.0093 0.7716 0.7713
Leishmania major hypothetical protein, conserved 0.0018 0.0284 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0496 0.0496
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1963 0.1963
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.093 0.1311
Trypanosoma cruzi ISWI complex protein 0.0018 0.0284 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.3796 0.5414
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.3346 0.3346
Brugia malayi Bromodomain containing protein 0.0046 0.3071 0.3061
Brugia malayi CXXC zinc finger family protein 0.0035 0.191 0.1898
Brugia malayi PHD-finger family protein 0.0035 0.1963 0.1951
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7622 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5724 0.8174
Loa Loa (eye worm) hypothetical protein 0.0035 0.1963 0.2789
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0571 0.0796
Echinococcus multilocularis cpg binding protein 0.0039 0.234 0.234
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1963 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0572 0.0799
Trypanosoma cruzi ISWI complex protein 0.0018 0.0284 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1963 0.2288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0572 0.0393
Trypanosoma brucei ISWI complex protein 0.0018 0.0284 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0572 0.0393
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.136 0.136
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.5862 0.5862
Schistosoma mansoni cpg binding protein 0.0039 0.234 0.2802
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0572 0.0572
Brugia malayi jmjC domain containing protein 0.0047 0.3136 0.3126
Onchocerca volvulus Alhambra homolog 0.0035 0.1963 1
Echinococcus granulosus peregrin 0.0038 0.2249 0.2249
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.3136 0.3136
Echinococcus granulosus zinc finger protein 0.0026 0.1 0.1
Plasmodium falciparum phd finger protein, putative 0.0035 0.1963 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0879 0.0866
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.191 0.2714
Brugia malayi PHD-finger family protein 0.0032 0.1647 0.1635
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1963 0.1963

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 15.514 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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