Detailed information for compound 1351061

Basic information

Technical information
  • TDR Targets ID: 1351061
  • Name: dimethyl 5-[2-oxo-2-(1,2,3,4-tetrahydronaphth alen-1-ylamino)ethoxy]benzene-1,3-dicarboxyla te
  • MW: 397.421 | Formula: C22H23NO6
  • H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(OCC(=O)NC2CCCc3c2cccc3)cc(c1)C(=O)OC
  • InChi: 1S/C22H23NO6/c1-27-21(25)15-10-16(22(26)28-2)12-17(11-15)29-13-20(24)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-4,6,8,10-12,19H,5,7,9,13H2,1-2H3,(H,23,24)
  • InChiKey: MOYRGPGFLBIBJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dimethyl 5-[2-oxo-2-(tetralin-1-ylamino)ethoxy]benzene-1,3-dicarboxylate
  • 5-[2-oxo-2-(1-tetralinylamino)ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester
  • 5-[2-keto-2-(tetralin-1-ylamino)ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester
  • T5414175

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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
Loa Loa (eye worm) hypothetical protein 0.0041 0.5326 0.615
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2139 0.372
Loa Loa (eye worm) hypothetical protein 0.006 0.8073 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5326 0.616
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8073 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2139 0.1704
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Onchocerca volvulus 0.0035 0.4393 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.4678 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2139 0.372
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.2139 0.372
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis helicase, putative 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2139 0.1681
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8073 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 0.4856
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2139 0.372
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2139 0.372
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2139 0.1704
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 0.4842
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Schistosoma mansoni hypothetical protein 0.0041 0.5326 0.5275
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8073 1
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Echinococcus granulosus GPCR family 2 0.0019 0.2139 0.372
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Loa Loa (eye worm) hypothetical protein 0.0019 0.2139 0.1681

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 29.081 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
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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