Detailed information for compound 1549809

Basic information

Technical information
  • TDR Targets ID: 1549809
  • Name: MLS001010905
  • MW: 514.567 | Formula: C27H34N2O8
  • H donors: 0 H acceptors: 3 LogP: 2.16 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)c1cc(n(c1C)CC1CCCO1)C
  • InChi: 1S/C27H34N2O8/c1-18-13-22(19(2)29(18)15-21-5-4-10-35-21)23(30)16-37-27(32)20-6-7-24(25(14-20)33-3)36-17-26(31)28-8-11-34-12-9-28/h6-7,13-14,21H,4-5,8-12,15-17H2,1-3H3
  • InChiKey: IAUYJOXOOCICAX-UHFFFAOYSA-N  

Network

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Synonyms

  • SMR000352945
  • T5260353

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
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0185 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1324 1
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0185 1 0.5
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0185 1 0.5
Entamoeba histolytica cytidine deaminase, putative 0.0185 1 0.5
Trichomonas vaginalis cytidine deaminase, putative 0.0185 1 0.5
Echinococcus granulosus cytidine deaminase 0.0185 1 0.5
Trichomonas vaginalis cytidine deaminase, putative 0.0185 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1324 1
Onchocerca volvulus 0.0185 1 0.5
Mycobacterium ulcerans cytidine deaminase 0.0185 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1324 0.1324
Leishmania major cytidine deaminase-like protein 0.0185 1 0.5
Trypanosoma brucei cytidine deaminase 0.0185 1 0.5
Schistosoma mansoni hypothetical protein 0.0041 0 0.5
Echinococcus multilocularis cytidine deaminase 0.0185 1 0.5
Giardia lamblia Cytidine deaminase 0.0185 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1324 0.1324
Onchocerca volvulus 0.0185 1 0.5
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0185 1 0.5
Trypanosoma cruzi cytidine deaminase-like protein 0.0185 1 0.5

Activities

Activity type Activity value Assay description Source 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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