Detailed information for compound 1389542

Basic information

Technical information
  • TDR Targets ID: 1389542
  • Name: N-(4-methoxyphenyl)-6-[(4-pyridin-2-ylpiperaz in-1-yl)methyl]-1,3,5-triazine-2,4-diamine
  • MW: 392.458 | Formula: C20H24N8O
  • H donors: 2 H acceptors: 4 LogP: 2.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Nc1nc(CN2CCN(CC2)c2ccccn2)nc(n1)N
  • InChi: 1S/C20H24N8O/c1-29-16-7-5-15(6-8-16)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-4-2-3-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)
  • InChiKey: NVIDTYXZJHTAHL-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(4-methoxyphenyl)-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
  • N-(4-methoxyphenyl)-6-[[4-(2-pyridyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine
  • [4-amino-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine
  • MLS000052666
  • N-(4-methoxyphenyl)-6-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1,3,5-triazine-2,4-diamine
  • SMR000082356
  • STOCK5S-52158

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B 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
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Brugia malayi Bromodomain containing 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 japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum 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
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Conserved 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

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
Brugia malayi Bromodomain containing protein 0.0046 0.1815 0.2673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1572 0.1403
Loa Loa (eye worm) hypothetical protein 0.0049 0.2066 0.4014
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1572 0.1403
Schistosoma mansoni lipoxygenase 0.01 0.6353 0.6353
Brugia malayi Bromodomain containing protein 0.0091 0.5587 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2262 0.4395
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0046 0.1823 0.3541
Schistosoma mansoni bromodomain containing protein 0.0076 0.4383 0.4383
Schistosoma mansoni lipoxygenase 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.5147 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.4015 0.3895
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.4015 0.3895
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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