Detailed information for compound 827251

Basic information

Technical information
  • TDR Targets ID: 827251
  • Name: 6,7-dimethoxy-3-phenylsulfonyl-1-propylquinol in-4-one
  • MW: 387.449 | Formula: C20H21NO5S
  • H donors: 0 H acceptors: 3 LogP: 3.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1cc(c(=O)c2c1cc(OC)c(c2)OC)S(=O)(=O)c1ccccc1
  • InChi: 1S/C20H21NO5S/c1-4-10-21-13-19(27(23,24)14-8-6-5-7-9-14)20(22)15-11-17(25-2)18(26-3)12-16(15)21/h5-9,11-13H,4,10H2,1-3H3
  • InChiKey: WFUCBOATWZJWFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dimethoxy-3-phenylsulfonyl-1-propyl-quinolin-4-one
  • 6,7-dimethoxy-3-phenylsulfonyl-1-propyl-4-quinolinone
  • 6,7-dimethoxy-3-phenylsulfonyl-1-propyl-4-quinolone

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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0144 0.1898 0.1898
Loa Loa (eye worm) transcription factor SMAD2 0.0588 1 1
Schistosoma mansoni hypothetical protein 0.0311 0.495 1
Brugia malayi latrophilin 2 splice variant baaae 0.0311 0.495 0.495
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0728 0.3834
Loa Loa (eye worm) hypothetical protein 0.0144 0.1898 0.1898
Brugia malayi hypothetical protein 0.01 0.1092 0.1092
Brugia malayi Latrophilin receptor protein 2 0.0144 0.1898 0.1898
Loa Loa (eye worm) hypothetical protein 0.0456 0.7579 0.7579
Loa Loa (eye worm) MH2 domain-containing protein 0.0588 1 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0192 0.2772 0.2772
Echinococcus multilocularis GPCR, family 2 0.0144 0.1898 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0456 0.7579 0.7579
Plasmodium falciparum ataxin-2 like protein, putative 0.0155 0.2093 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0355 0.575 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0144 0.1898 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2772 1
Brugia malayi isocitrate dehydrogenase 0.008 0.0728 0.0728
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0192 0.2772 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.008 0.0728 0.3834
Brugia malayi Isocitrate dehydrogenase 0.008 0.0728 0.0728
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.008 0.0728 0.2173
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0728 0.3834
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2772 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2772 1
Schistosoma mansoni hypothetical protein 0.0069 0.0536 0.1082
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2772 1
Schistosoma mansoni hypothetical protein 0.0144 0.1898 0.3835
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2772 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0155 0.2093 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.575 0.575
Schistosoma mansoni hypothetical protein 0.0144 0.1898 0.3835
Echinococcus granulosus GPCR family 2 0.0144 0.1898 1
Brugia malayi hypothetical protein 0.0155 0.2093 0.2093
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.008 0.0728 0.2173
Plasmodium vivax ataxin-2 like protein, putative 0.0155 0.2093 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0456 0.7579 0.7579
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.2772 0.5
Schistosoma mansoni hypothetical protein 0.0144 0.1898 0.3835
Toxoplasma gondii LsmAD domain-containing protein 0.0155 0.2093 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.2093 0.2093
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0133 0.1692 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0144 0.1898 0.1898
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.008 0.0728 0.3834
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0069 0.0536 0.2822
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0192 0.2772 0.2772
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.2772 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.008 0.0728 0.0728
Trypanosoma brucei PAB1-binding protein , putative 0.0155 0.2093 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0456 0.7579 0.7579
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0144 0.1898 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0155 0.2093 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0728 0.3834
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0192 0.2772 0.5
Brugia malayi N-terminal motif family protein 0.0355 0.575 0.575
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.008 0.0728 0.3834
Leishmania major hypothetical protein, conserved 0.0155 0.2093 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.495 0.495
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.008 0.0728 0.147
Schistosoma mansoni hypothetical protein 0.0144 0.1898 0.3835
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.008 0.0728 0.2173
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.008 0.0728 0.2173
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0069 0.0536 0.2822
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0144 0.1898 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.2772 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.008 0.0728 0.2173
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0144 0.1898 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0155 0.2093 1

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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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