Detailed information for compound 343131

Basic information

Technical information
  • TDR Targets ID: 343131
  • Name: 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ph enyl]-3-phenylpyridazine
  • MW: 343.382 | Formula: C20H17N5O
  • H donors: 0 H acceptors: 4 LogP: 2.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1ncnc1COc1cccc(c1)c1cnnc(c1)c1ccccc1
  • InChi: 1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
  • InChiKey: PXCVVFWVLHUINV-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenyl-pyridazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, beta 3 Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, gamma 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131775 All targets in OG5_131775

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, gamma 2 467 aa 449 aa 27.6 %
Brugia malayi excitatory GABA receptor EXP-1A gamma-aminobutyric acid (GABA) A receptor, beta 3 473 aa 441 aa 29.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Animal haem peroxidase family protein 0.0349 0.7272 1
Echinococcus granulosus peroxidasin 0.0349 0.7272 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0349 0.7272 0.7272
Onchocerca volvulus 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Onchocerca volvulus Peroxidase homolog 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Brugia malayi Animal haem peroxidase family protein 0.0349 0.7272 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Brugia malayi Animal haem peroxidase family protein 0.0349 0.7272 1
Loa Loa (eye worm) animal heme peroxidase 0.0349 0.7272 0.7272
Onchocerca volvulus Peroxidasin homolog 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Onchocerca volvulus Dual oxidase homolog 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.0738 0.0738
Brugia malayi hypothetical protein 0.0349 0.7272 1
Schistosoma mansoni peroxidasin 0.0349 0.7272 0.5
Onchocerca volvulus Peroxidase homolog 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Onchocerca volvulus 0.0349 0.7272 0.5
Onchocerca volvulus 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Brugia malayi Animal haem peroxidase family protein 0.0349 0.7272 1
Brugia malayi Peroxidasin 0.0349 0.7272 1
Brugia malayi Blistered cuticle protein 3 0.0349 0.7272 1
Echinococcus multilocularis peroxidasin 0.0349 0.7272 0.5
Brugia malayi Animal haem peroxidase family protein 0.0349 0.7272 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0349 0.7272 0.7272
Loa Loa (eye worm) animal heme peroxidase 0.0349 0.7272 0.7272
Onchocerca volvulus Chorion peroxidase homolog 0.0349 0.7272 0.5
Loa Loa (eye worm) hypothetical protein 0.0349 0.7272 0.7272
Schistosoma mansoni peroxidasin 0.0349 0.7272 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0349 0.7272 0.7272
Onchocerca volvulus Peroxidasin homolog 0.0349 0.7272 0.5

Activities

Activity type Activity value Assay description Source Reference
Efficacy (functional) = -5 Efficacy at GABAA alpha5-beta3-gamma2 receptor expressed in mouse fibroblast L(tk-) cells measured at 300 nM derived from at least three plates/day screened over a minimum of 2 days ChEMBL. 16162003
Efficacy (functional) = 43 Efficacy at GABAA alpha3-beta3-gamma2 receptor expressed in mouse fibroblast L(tk-) cells measured at 300 nM derived from at least three plates/day screened over a minimum of 2 days ChEMBL. 16162003
Ki (binding) = 8.5 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003
Ki (binding) = 8.5 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003
Ki (binding) = 8.8 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003
Ki (binding) = 8.8 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003
Ki (binding) = 10.4 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003
Ki (binding) = 10.4 nM Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4) ChEMBL. 16162003

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

1 literature reference was collected for this gene.

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