Detailed information for compound 1249690

Basic information

Technical information
  • TDR Targets ID: 1249690
  • Name: 4-[(2,4-dimethylphenyl)methyl]-2-(4-ethoxyphe nyl)-1,1-dioxobenzo[e][1,2,4]thiadiazin-3-one
  • MW: 436.523 | Formula: C24H24N2O4S
  • H donors: 0 H acceptors: 3 LogP: 4.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N1C(=O)N(Cc2ccc(cc2C)C)c2c(S1(=O)=O)cccc2
  • InChi: 1S/C24H24N2O4S/c1-4-30-21-13-11-20(12-14-21)26-24(27)25(16-19-10-9-17(2)15-18(19)3)22-7-5-6-8-23(22)31(26,28)29/h5-15H,4,16H2,1-3H3
  • InChiKey: PLZLUJKYRDATAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2,4-dimethylphenyl)methyl]-2-(4-ethoxyphenyl)-1,1-dioxo-benzo[e][1,2,4]thiadiazin-3-one
  • 4-[(2,4-dimethylphenyl)methyl]-2-(4-ethoxyphenyl)-1,1-dioxo-3-benzo[e][1,2,4]thiadiazinone
  • 4-(2,4-dimethylbenzyl)-2-(4-ethoxyphenyl)-1,1-diketo-benzo[e][1,2,4]thiadiazin-3-one
  • K261-1119
  • NCGC00138531-01

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
Loa Loa (eye worm) RNA binding protein 0.0129 0.1362 0.4229
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0096 0.0863 0.0863
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.1362 0.4229
Echinococcus granulosus nmda type glutamate receptor 0.0204 0.2506 0.2506
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0177 0.0459
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0321 0.0919
Schistosoma mansoni glutamate receptor AMPA 0.0076 0.056 0.056
Schistosoma mansoni ATP-binding cassette transporter 0.0076 0.056 0.056
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0321 0.0919
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.01 0.0926 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0321 0.0919
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1362 0.1362
Onchocerca volvulus 0.0051 0.0177 0.0137
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2939 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0167 0.0167
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.1933 0.1933
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.1362 0.4229
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0096 0.0863 0.0863
Schistosoma mansoni glutamate receptor NMDA 0.0076 0.056 0.056
Schistosoma mansoni alpha-glucosidase 0.0143 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.005 0.0167 0.0429
Onchocerca volvulus 0.0096 0.0869 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0096 0.0863 0.0863
Brugia malayi RNA binding protein 0.0129 0.1362 0.4229
Loa Loa (eye worm) glutamate receptor 2 0.0076 0.056 0.1678
Schistosoma mansoni glutamate receptor kainate 0.0076 0.056 0.056
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0096 0.0863 0.0863
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1362 0.1362
Brugia malayi TAR-binding protein 0.0129 0.1362 0.4229
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1362 0.1362
Echinococcus multilocularis nmda type glutamate receptor 0.0204 0.2506 0.2506
Echinococcus granulosus glutamate NMDA receptor subunit 0.0076 0.056 0.056
Loa Loa (eye worm) TAR-binding protein 0.0129 0.1362 0.4229
Brugia malayi hypothetical protein 0.0248 0.3177 1
Loa Loa (eye worm) glutamate receptor 1 0.0076 0.056 0.1678
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.1933 0.6046
Echinococcus multilocularis glutamate receptor NMDA 0.0184 0.2202 0.2202
Brugia malayi Glutamate receptor 2 precursor 0.0076 0.056 0.1678
Loa Loa (eye worm) hypothetical protein 0.0248 0.3177 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.1933 0.6046
Chlamydia trachomatis glutamine binding protein 0.01 0.0926 0.5
Echinococcus granulosus glutamate receptor 2 0.0096 0.0863 0.0863
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0096 0.0863 0.0863
Schistosoma mansoni hypothetical protein 0.0171 0.2009 0.2009
Schistosoma mansoni alpha-glucosidase 0.0143 0.1582 0.1582
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.01 0.0926 0.5
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1362 0.1362
Echinococcus multilocularis glutamate receptor 2 0.0076 0.056 0.056
Schistosoma mansoni hypothetical protein 0.0171 0.2009 0.2009
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.3177 0.3177
Echinococcus granulosus tumor protein p63 0.0342 0.4594 0.4594
Echinococcus multilocularis tumor protein p63 0.0342 0.4594 0.4594
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.3177 0.3177
Echinococcus granulosus nmda type glutamate receptor 0.0323 0.4312 0.4312
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0076 0.056 0.056
Echinococcus multilocularis glutamate receptor 2 0.0057 0.0271 0.0271
Schistosoma mansoni hypothetical protein 0.0041 0.0032 0.0032
Echinococcus multilocularis microtubule associated protein 2 0.0698 1 1
Schistosoma mansoni glutamate receptor NMDA 0.028 0.3658 0.3658
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.1933 0.1933
Schistosoma mansoni microtubule-associated protein tau 0.0698 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0184 0.2202 0.2202
Schistosoma mansoni glutamate receptor kainate 0.0076 0.056 0.056
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.1933 0.1933
Echinococcus multilocularis tar DNA binding protein 0.0129 0.1362 0.1362
Echinococcus multilocularis glutamate receptor 2 0.0096 0.0863 0.0863
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0139 0.1518 0.1518
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1362 0.1362
Echinococcus multilocularis nmda type glutamate receptor 0.0323 0.4312 0.4312
Echinococcus granulosus glutamate receptor 2 0.0057 0.0271 0.0271
Echinococcus granulosus tar DNA binding protein 0.0129 0.1362 0.1362
Schistosoma mansoni survival motor neuron protein 0.0051 0.0177 0.0177
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0096 0.0863 0.0863
Schistosoma mansoni hypothetical protein 0.0051 0.0177 0.0177
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0321 0.0919
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0096 0.0863 0.0863
Echinococcus granulosus geminin 0.0171 0.2009 0.2009
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0096 0.0863 0.0863
Schistosoma mansoni glutamate receptor kainate 0.0076 0.056 0.056
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.01 0.0926 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0076 0.056 0.056
Brugia malayi Glutamate receptor 1 precursor 0.0076 0.056 0.1678
Echinococcus multilocularis geminin 0.0171 0.2009 0.2009
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.01 0.0926 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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