Detailed information for compound 1549603

Basic information

Technical information
  • TDR Targets ID: 1549603
  • Name: T5556217
  • MW: 485.639 | Formula: C26H35N3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(N1CCCC1)CNC(=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C26H35N3O4S/c1-20-8-13-23(34(31,32)29-16-4-3-5-17-29)18-24(20)26(30)27-19-25(28-14-6-7-15-28)21-9-11-22(33-2)12-10-21/h8-13,18,25H,3-7,14-17,19H2,1-2H3,(H,27,30)
  • InChiKey: DJBJFGLGULOEOI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0074 1 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0074 1 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0074 1 0.5
Brugia malayi brahma associated protein 60 kDa 0.0074 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0074 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0074 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.5772 0.5772
Plasmodium vivax hypothetical protein, conserved 0.0074 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0074 1 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0074 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0074 1 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0074 1 1
Schistosoma mansoni hypothetical protein 0.0074 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0074 1 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0074 1 0.5
Chlamydia trachomatis SWIB complex protein 0.0074 1 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0074 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0074 1 0.5
Schistosoma mansoni brg-1 associated factor 0.0074 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5772 0.5772
Echinococcus multilocularis SWI:SNF matrix associated 0.0074 1 0.5
Schistosoma mansoni hypothetical protein 0.0074 1 1
Loa Loa (eye worm) brahma associated protein 0.0074 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0074 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5772 0.5772
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5772 0.5772
Schistosoma mansoni hypothetical protein 0.0074 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0074 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 20 uM PUBCHEM_BIOASSAY: High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, compounds from Cherry Pick 02. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 20 uM PUBCHEM_BIOASSAY: High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Lethal Factor protease, compounds from Cherry Pick 02. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 20 uM PubChem BioAssay. High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, compounds from Cherry Pick 02. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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