Detailed information for compound 1252723

Basic information

Technical information
  • TDR Targets ID: 1252723
  • Name: 2-methyl-6-[[4-[(3-methylphenyl)amino]-6-(pro pan-2-ylamino)-1,3,5-triazin-2-yl]oxy]pyridaz in-3-one
  • MW: 367.405 | Formula: C18H21N7O2
  • H donors: 2 H acceptors: 4 LogP: 3.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Nc1nc(nc(n1)Nc1cccc(c1)C)Oc1ccc(=O)n(n1)C)C
  • InChi: 1S/C18H21N7O2/c1-11(2)19-16-21-17(20-13-7-5-6-12(3)10-13)23-18(22-16)27-14-8-9-15(26)25(4)24-14/h5-11H,1-4H3,(H2,19,20,21,22,23)
  • InChiKey: QWUGEPXYICAZFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[4-(isopropylamino)-6-[(3-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methyl-pyridazin-3-one
  • 6-[[4-(isopropylamino)-6-[(3-methylphenyl)amino]-1,3,5-triazin-2-yl]oxy]-2-methyl-3-pyridazinone
  • 6-[[4-(isopropylamino)-6-[(3-methylphenyl)amino]-s-triazin-2-yl]oxy]-2-methyl-pyridazin-3-one
  • MLS000080485
  • SMR000035064
  • ChemDiv2_005110
  • ZINC02434496
  • IDI1_003825

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Onchocerca volvulus 0.005 0.0342 0.3711
Loa Loa (eye worm) MH2 domain-containing protein 0.0087 0.0939 0.0939
Brugia malayi Guanylyl cyclase protein 23 0.005 0.0342 0.0426
Schistosoma mansoni tar DNA-binding protein 0.0046 0.0284 0.0049
Entamoeba histolytica hypothetical protein 0.005 0.0342 1
Echinococcus multilocularis nmda type glutamate receptor 0.005 0.0342 0.0105
Echinococcus multilocularis GPCR, family 3, C terminal 0.0086 0.0922 0.0699
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.4025 0.4025
Echinococcus granulosus tar DNA binding protein 0.0046 0.0284 0.0045
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.005 0.0342 0.0105
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0031 0.0035 0.0376
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0136 0.1721 0.1721
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0444 0.6659 0.6577
Echinococcus granulosus GPCR family 3 C terminal 0.0086 0.0922 0.0699
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0036 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0036 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0136 0.1721 0.1721
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Schistosoma mansoni tar DNA-binding protein 0.0046 0.0284 0.0049
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0342 0.0342
Brugia malayi Heterochromatin protein 1 0.0051 0.0358 0.0445
Echinococcus multilocularis atrial natriuretic peptide receptor 0.005 0.0342 0.0105
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Brugia malayi Receptor family ligand binding region containing protein 0.005 0.0342 0.0426
Echinococcus granulosus atrial natriuretic peptide receptor 0.005 0.0342 0.0105
Loa Loa (eye worm) glutamate receptor 0.053 0.8037 0.8037
Loa Loa (eye worm) hypothetical protein 0.0653 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0342 0.0105
Echinococcus granulosus metabotropic glutamate receptor 2 0.0444 0.6659 0.6577
Brugia malayi hypothetical protein 0.005 0.0342 0.0426
Schistosoma mansoni metabotropic glutamate receptor 0.0444 0.6659 0.7163
Trichomonas vaginalis chromobox protein, putative 0.0031 0.0035 0.0969
Brugia malayi Receptor family ligand binding region containing protein 0.0136 0.1721 0.2141
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Echinococcus granulosus chromobox protein 1 0.0051 0.0358 0.0121
Loa Loa (eye worm) hypothetical protein 0.0136 0.1721 0.1721
Brugia malayi RNA recognition motif domain containing protein 0.0046 0.0284 0.0353
Brugia malayi Metabotropic glutamate receptor precursor. 0.053 0.8037 1
Schistosoma mansoni chromobox protein 0.0051 0.0358 0.0132
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0342 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0046 0.0284 0.0049
Echinococcus multilocularis chromobox protein 1 0.0051 0.0358 0.0121
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0342 0.0105
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0036 0.0126 0.0157
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0046 0.0284 0.0284
Loa Loa (eye worm) heterochromatin protein 1 0.0051 0.0358 0.0358
Brugia malayi metabotropic GABA-B receptor subtype 2 0.005 0.0342 0.0426
Echinococcus multilocularis receptor type guanylyl cyclase 0.005 0.0342 0.0105
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0342 0.0342
Echinococcus granulosus glutamate receptor 2 0.005 0.0342 0.0105
Brugia malayi TAR-binding protein 0.0046 0.0284 0.0353
Schistosoma mansoni hypothetical protein 0.0086 0.0922 0.0761
Echinococcus multilocularis chromobox protein 1 0.0051 0.0358 0.0121
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0603 0.9201 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.005 0.0342 0.0342
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0358 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0342 0.0342
Trypanosoma cruzi extracellular receptor, putative 0.005 0.0342 0.5
Echinococcus granulosus receptor type guanylyl cyclase 0.005 0.0342 0.0105
Echinococcus multilocularis glutamate receptor 2 0.005 0.0342 0.0105
Brugia malayi hypothetical protein 0.0043 0.024 0.0298
Echinococcus granulosus tyrosine kinase 0.005 0.0342 0.0105
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0358 1
Schistosoma mansoni tyrosine kinase 0.005 0.0342 0.0114
Brugia malayi Calcitonin receptor-like protein seb-1 0.0036 0.0126 0.0157
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0086 0.0922 0.1147
Loa Loa (eye worm) glutamate receptor 0.0209 0.2885 0.2885
Loa Loa (eye worm) RNA binding protein 0.0046 0.0284 0.0284
Brugia malayi metabotropic glutamate receptor type 2 0.0258 0.3684 0.4583
Schistosoma mansoni tar DNA-binding protein 0.0046 0.0284 0.0049
Loa Loa (eye worm) TAR-binding protein 0.0046 0.0284 0.0284
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0342 0.0105
Trichomonas vaginalis chromobox protein, putative 0.0031 0.0035 0.0969
Echinococcus granulosus chromobox protein 1 0.0051 0.0358 0.0121
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Brugia malayi RNA binding protein 0.0046 0.0284 0.0353
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.048 0.7239 0.9006
Schistosoma mansoni protein kinase 0.005 0.0342 0.0114
Schistosoma mansoni metabotropic glutamate receptor 0.0258 0.3684 0.3843
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.005 0.0342 0.3711
Schistosoma mansoni tar DNA-binding protein 0.0046 0.0284 0.0049
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0342 0.0105
Leishmania major extracellular receptor, putative 0.005 0.0342 0.5
Echinococcus granulosus nmda type glutamate receptor 0.005 0.0342 0.0105
Echinococcus granulosus glutamate receptor 2 0.005 0.0342 0.0105
Loa Loa (eye worm) transcription factor SMAD2 0.0087 0.0939 0.0939
Onchocerca volvulus 0.005 0.0342 0.3711
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342
Brugia malayi follicle stimulating hormone receptor 0.028 0.4025 0.5008
Onchocerca volvulus Poor gastrulation protein homolog 0.0086 0.0922 1
Schistosoma mansoni tyrosine kinase 0.005 0.0342 0.0114
Schistosoma mansoni chromobox protein 0.0051 0.0358 0.0132
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0653 1 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.005 0.0342 0.0105
Brugia malayi MH2 domain containing protein 0.0087 0.0939 0.1168
Loa Loa (eye worm) hypothetical protein 0.0086 0.0922 0.0922
Echinococcus multilocularis tyrosine kinase 0.005 0.0342 0.0105
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0086 0.0922 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0342 0.0105
Schistosoma mansoni glutamate receptor NMDA 0.005 0.0342 0.0114
Echinococcus multilocularis tar DNA binding protein 0.0046 0.0284 0.0045
Echinococcus multilocularis glutamate receptor 2 0.005 0.0342 0.0105
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.0342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0323 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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