Detailed information for compound 1346892

Basic information

Technical information
  • TDR Targets ID: 1346892
  • Name: 4-[(2,6-dimethylphenyl)amino]-1-(2-methoxyphe nyl)-1,3-diazaspiro[4.4]non-3-ene-2-thione
  • MW: 379.518 | Formula: C22H25N3OS
  • H donors: 0 H acceptors: 0 LogP: 5.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1C(=NC(=Nc2c(C)cccc2C)C21CCCC2)S
  • InChi: 1S/C22H25N3OS/c1-15-9-8-10-16(2)19(15)23-20-22(13-6-7-14-22)25(21(27)24-20)17-11-4-5-12-18(17)26-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,24,27)
  • InChiKey: LBNDWPBDALEETI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(Z)-2,6-Dimethyl-phenylimino]-1-(2-methoxy-phenyl)-1,3-diaza-spiro[4.4]nonane-2-thione
  • MLS000767169
  • SMR000429494
  • STOCK1S-20661
  • ZINC02346751

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Schistosoma mansoni hypothetical protein 0.0043 0.6509 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1426 0.219
Entamoeba histolytica hypothetical protein 0.0043 0.6509 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.6031 0.9266
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.219
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1426 0.1426
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1426 0.219
Loa Loa (eye worm) hypothetical protein 0.0019 0.1426 0.1426
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1426 0.219
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.6509 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1426 0.1426
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.219
Echinococcus granulosus GPCR family 2 0.0019 0.1426 0.219
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.6509 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1426 0.219
Brugia malayi hypothetical protein 0.0043 0.6509 0.6509
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.6509 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.219
Loa Loa (eye worm) hypothetical protein 0.0041 0.6031 0.6031
Entamoeba histolytica hypothetical protein 0.0043 0.6509 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.219
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.6031 0.6031
Echinococcus multilocularis GPCR, family 2 0.0019 0.1426 0.219
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.6509 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.6509 0.5
Onchocerca volvulus 0.0012 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1426 0.1426

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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