Detailed information for compound 1346435

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.514 | Formula: C22H23N5O4S
  • H donors: 2 H acceptors: 4 LogP: 2.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)Cn1ncc2c(c1=O)[nH]c1c2cccc1)CC
  • InChi: 1S/C22H23N5O4S/c1-3-26(4-2)32(30,31)16-11-9-15(10-12-16)24-20(28)14-27-22(29)21-18(13-23-27)17-7-5-6-8-19(17)25-21/h5-13,25H,3-4,14H2,1-2H3,(H,24,28)
  • InChiKey: GDTZXRVPCXSQLN-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi Protein kinase c protein 2 0.0054 0.2382 0.8382
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0043 0.0017
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0033 0.1014 0.1076
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Echinococcus granulosus protein kinase c iota type 0.0032 0.093 0.0905
Toxoplasma gondii AGC kinase 0.0019 0.0028 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0016
Entamoeba histolytica protein kinase, putative 0.0019 0.0028 0.5
Schistosoma mansoni atypical protein kinase C 0.0032 0.093 0.0905
Echinococcus multilocularis serine threonine protein kinase 0.0059 0.2729 0.2709
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0043 0.0057
Schistosoma mansoni hypothetical protein 0.0166 1 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Echinococcus granulosus RNA directed DNA polymerase 0.0039 0.1368 0.1345
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0016
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Echinococcus multilocularis protein kinase c epsilon type 0.0033 0.1014 0.0989
Entamoeba histolytica protein kinase, putative 0.0019 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.919 1
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.3632 0.3614
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0016
Echinococcus granulosus protein kinase c epsilon type 0.0033 0.1014 0.0989
Loa Loa (eye worm) hypothetical protein 0.0135 0.7913 0.8606
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1544 0.1655
Loa Loa (eye worm) hypothetical protein 0.0039 0.1368 0.1463
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0016
Echinococcus granulosus Protein kinase C brain isozyme 0.0072 0.3632 0.3614
Brugia malayi protein kinase C II. 0.0033 0.1014 0.3511
Echinococcus granulosus protein kinase C gamma type 0.0059 0.2729 0.2709
Loa Loa (eye worm) hypothetical protein 0.0148 0.8816 0.9592
Echinococcus multilocularis protein kinase c iota type 0.0032 0.093 0.0905
Echinococcus granulosus GPCR family 2 0.0019 0.0043 0.0016
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0039 0.1368 0.1345
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0016
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2837 0.3066
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.3632 0.3614
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1544 0.5398
Loa Loa (eye worm) hypothetical protein 0.0135 0.7913 0.8606
Schistosoma mansoni hypothetical protein 0.0166 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0019 0.0028 0.5
Entamoeba histolytica protein kinase, putative 0.0019 0.0028 0.5
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0043 0.0016
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0072 0.3632 0.3614
Echinococcus multilocularis RNA directed DNA polymerase 0.0039 0.1368 0.1345
Onchocerca volvulus 0.0135 0.7913 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2271 0.2449
Entamoeba histolytica protein kinase, putative 0.0019 0.0028 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.004 0.1479 0.1584
Schistosoma mansoni hypothetical protein 0.0041 0.1544 0.1521
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0043 0.0057
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0016
Loa Loa (eye worm) hypothetical protein 0.0135 0.7913 0.8606
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0016
Echinococcus multilocularis geminin 0.0166 1 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2837 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2837 0.3066
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0028 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0016
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.1014 0.0989
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2837 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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 for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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