Detailed information for compound 863506

Basic information

Technical information
  • TDR Targets ID: 863506
  • Name: N-[(4-chlorophenyl)methyl]-5-[(3-chlorophenyl )methylsulfinylmethyl]furan-2-carboxamide
  • MW: 422.325 | Formula: C20H17Cl2NO3S
  • H donors: 1 H acceptors: 2 LogP: 4.77 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CNC(=O)c1ccc(o1)C[S+](Cc1cccc(c1)Cl)[O-]
  • InChi: 1S/C20H17Cl2NO3S/c21-16-6-4-14(5-7-16)11-23-20(24)19-9-8-18(26-19)13-27(25)12-15-2-1-3-17(22)10-15/h1-10H,11-13H2,(H,23,24)
  • InChiKey: WNSUXJRABYHLKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylsulfinylmethyl]-2-furancarboxamide
  • N-(4-chlorobenzyl)-5-[(3-chlorobenzyl)sulfinylmethyl]-2-furamide

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

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 Delta5 fatty acid desaturase 0.103 0.4532 0.4781
Leishmania major fatty-acid desaturase, putative 0.2148 1 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0103 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0927 0.4029 0.4249
Trypanosoma brucei fatty acid desaturase, putative 0.2148 1 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0103 0 0.5
Mycobacterium tuberculosis Probable conserved membrane protein 0.0106 0.0016 1
Trypanosoma cruzi fatty acid desaturase, putative 0.2045 0.9496 0.9496
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0103 0 0.5
Brugia malayi acyl-CoA desaturase 0.2041 0.948 1
Mycobacterium ulcerans hypothetical protein 0.0106 0.0016 1
Trypanosoma cruzi fatty acid desaturase, putative 0.2045 0.9496 0.9496
Onchocerca volvulus 0.2144 0.9984 1
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0103 0 0.5
Loa Loa (eye worm) FAT-3 protein 0.103 0.4532 0.4781
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0106 0.0016 0.0016
Trypanosoma cruzi fatty acid desaturase, putative 0.2148 1 1
Loa Loa (eye worm) acyl-CoA desaturase 0.2041 0.948 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0106 0.0016 0.0016
Plasmodium falciparum stearoyl-CoA desaturase 0.2041 0.948 0.5
Leishmania major delta-6 fatty acid desaturase 0.0106 0.0016 0.0016
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.2041 0.948 0.5
Schistosoma mansoni fatty acid desaturase 0.1033 0.4548 0.5
Echinococcus granulosus Fatty acid desaturase type 1 0.0103 0 0.5
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0103 0 0.5
Leishmania major delta-5 fatty acid desaturase 0.103 0.4532 0.4532
Onchocerca volvulus 0.2144 0.9984 1
Loa Loa (eye worm) hypothetical protein 0.103 0.4532 0.4781

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) 14.581 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) 100 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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