Detailed information for compound 1439873

Basic information

Technical information
  • TDR Targets ID: 1439873
  • Name: 1,3-bis(phenylsulfonyl)-2-propan-2-ylimidazol idine
  • MW: 394.508 | Formula: C18H22N2O4S2
  • H donors: 0 H acceptors: 4 LogP: 3.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1N(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C
  • InChi: 1S/C18H22N2O4S2/c1-15(2)18-19(25(21,22)16-9-5-3-6-10-16)13-14-20(18)26(23,24)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
  • InChiKey: JJPXCSUPYPOXSD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-isopropyl-1,3-bis(phenylsulfonyl)imidazolidine
  • 1,3-bis(phenylsulfonyl)-2-propan-2-yl-imidazolidine
  • ZINC02497747
  • MLS000043312
  • SMR000019932
  • EU-0082346
  • STK212577

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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 notch-like transmembrane receptor 0.0398 0.2883 0.2883
Onchocerca volvulus Dual oxidase homolog 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Onchocerca volvulus 0.1233 1 1
Loa Loa (eye worm) Notch2 0.0398 0.2883 0.2883
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) animal heme peroxidase 0.1233 1 1
Schistosoma mansoni peroxidasin 0.1233 1 1
Onchocerca volvulus Peroxidasin homolog 0.1233 1 1
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi Animal haem peroxidase family protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Schistosoma mansoni peroxidasin 0.1233 1 1
Brugia malayi Cadherin domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) animal heme peroxidase 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Onchocerca volvulus 0.1233 1 1
Brugia malayi Blistered cuticle protein 3 0.1233 1 1
Brugia malayi Delta serrate ligand family protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) animal heme peroxidase 0.1233 1 1
Onchocerca volvulus 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Brugia malayi Cadherin domain containing protein 0.0398 0.2883 0.2883
Onchocerca volvulus Peroxidasin homolog 0.1233 1 1
Brugia malayi Animal haem peroxidase family protein 0.1233 1 1
Brugia malayi Animal haem peroxidase family protein 0.1233 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Brugia malayi Calcium binding EGF domain containing protein 0.0398 0.2883 0.2883
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0398 0.2883 0.2883
Onchocerca volvulus Chorion peroxidase homolog 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi Calcium binding EGF domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi Muscle positioning protein 4 0.0398 0.2883 0.2883
Brugia malayi Calcium binding EGF domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Giardia lamblia High cysteine protein 0.0398 0.2883 0.5
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi Peroxidasin 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Echinococcus multilocularis peroxidasin 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Onchocerca volvulus Peroxidase homolog 0.1233 1 1
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi Animal haem peroxidase family protein 0.1233 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1233 1 1
Onchocerca volvulus Peroxidase homolog 0.1233 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0398 0.2883 0.5
Brugia malayi GCC2 and GCC3 family protein 0.0398 0.2883 0.2883
Echinococcus granulosus peroxidasin 0.1233 1 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi follicle stimulating hormone receptor 0.028 0.1872 0.1872
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Brugia malayi EGF-like domain containing protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) notch protein 0.0398 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.1233 1 1
Brugia malayi Animal haem peroxidase family protein 0.1233 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1872 0.1872
Loa Loa (eye worm) hypothetical protein 0.0398 0.2883 0.2883

Activities

Activity type Activity value Assay description Source 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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