Detailed information for compound 1447270

Basic information

Technical information
  • TDR Targets ID: 1447270
  • Name: methyl 4-[(6-oxo-3-phenylpyridazin-1-yl)methy l]benzoate
  • MW: 320.342 | Formula: C19H16N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)Cn1nc(ccc1=O)c1ccccc1
  • InChi: 1S/C19H16N2O3/c1-24-19(23)16-9-7-14(8-10-16)13-21-18(22)12-11-17(20-21)15-5-3-2-4-6-15/h2-12H,13H2,1H3
  • InChiKey: PAEZQNZTTZSTGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[(6-oxo-3-phenyl-pyridazin-1-yl)methyl]benzoate
  • 4-[(6-oxo-3-phenyl-1-pyridazinyl)methyl]benzoic acid methyl ester
  • 4-[(6-keto-3-phenyl-pyridazin-1-yl)methyl]benzoic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-amylase, putative 0.0647 1 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0288 0.3758 1
Mycobacterium ulcerans glycogen branching protein 0.0288 0.3758 1
Trichomonas vaginalis alpha-amylase, putative 0.0647 1 1
Loa Loa (eye worm) hypothetical protein 0.0288 0.3758 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0288 0.3758 1
Trichomonas vaginalis amylase, putative 0.0647 1 1
Toxoplasma gondii glycosyltransferase 0.0288 0.3758 1
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0288 0.3758 1
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0071 0 0.5
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0288 0.3758 1
Trichomonas vaginalis amylase, putative 0.0288 0.3758 0.3758
Trichomonas vaginalis alpha-amylase, putative 0.0647 1 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0288 0.3758 1
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0288 0.3758 1
Trichomonas vaginalis amylase, putative 0.0647 1 1
Entamoeba histolytica alpha-amylase family protein 0.0647 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0577 0.8772 0.8772
Trichomonas vaginalis starch branching enzyme II, putative 0.0288 0.3758 0.3758
Schistosoma mansoni starch branching enzyme II 0.0288 0.3758 1
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0288 0.3758 0.5
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0288 0.3758 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0288 0.3758 0.3758
Trichomonas vaginalis alpha-amylase, putative 0.0647 1 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0288 0.3758 0.3758

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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