Detailed information for compound 1586804

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.495 | Formula: C20H23N5OS
  • H donors: 2 H acceptors: 3 LogP: 4.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(c1csc(n1)Nc1ncnc(c1)Oc1ccccc1)C1CCCCC1
  • InChi: 1S/C20H23N5OS/c21-19(14-7-3-1-4-8-14)16-12-27-20(24-16)25-17-11-18(23-13-22-17)26-15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8,21H2,(H,22,23,24,25)
  • InChiKey: ZEXONWXIDYOOAA-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 like-glycosyltransferase 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
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_130765 All targets in OG5_130765
Schistosoma japonicum ko:K09668 glycosyltransferase-like protein LARGE, putative Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis Glycosyl transferase, family 8 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Brugia malayi Glycosyl transferase family 8 protein Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis Glycosyltransferase protein LARGE1 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus granulosus Glycosyltransferase protein LARGE1 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus granulosus glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Loa Loa (eye worm) glycosyl transferase family 8 protein Get druggable targets OG5_130765 All targets in OG5_130765
Schistosoma mansoni glycosyltransferase-related Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus granulosus Glycosyl transferase family 8 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765

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
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0084 0.9396 0.8769
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4176 0.4176
Loa Loa (eye worm) hypothetical protein 0.006 0.4176 0.4176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4176 0.4176
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.9396 0.8769
Schistosoma mansoni glycosyltransferase-related 0.0087 1 1
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0087 1 1
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.9396 0.8769
Echinococcus multilocularis Glycosyl transferase, family 8 0.0087 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4176 0.4176
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.9396 0.8769
Echinococcus granulosus Glycosyl transferase family 8 0.0087 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 7.32 uM PubChem BioAssay. Dose response confirmation of small molecule activators of alpha dystroglycan glycosylation. (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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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