Detailed information for compound 1336165

Basic information

Technical information
  • TDR Targets ID: 1336165
  • Name: E565-0464
  • MW: 427.543 | Formula: C20H21N5O2S2
  • H donors: 1 H acceptors: 5 LogP: 4.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NC1CCCC1)c1c2ccs1
  • InChi: 1S/C20H21N5O2S2/c1-2-13-7-9-15(10-8-13)29(26,27)20-19-22-18(21-14-5-3-4-6-14)17-16(11-12-28-17)25(19)24-23-20/h7-12,14H,2-6H2,1H3,(H,21,22)
  • InChiKey: ZBELHYDMJGLSLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00122906-01

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
Echinococcus granulosus GPCR family 2 0.0019 0.0071 0.0071
Echinococcus granulosus ribonuclease H1 0.0066 0.0638 0.0638
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.0071
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0638 0.2064
Brugia malayi Kringle domain containing protein 0.0018 0.0054 0.0727
Echinococcus multilocularis protein kinase c iota type 0.0081 0.0825 0.0825
Plasmodium falciparum cysteine repeat modular protein 1 0.0018 0.0054 0.5
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0341
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0638 0.2064
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0013 0.0002 0.0023
Treponema pallidum ribonuclease H (rnhA) 0.0066 0.0638 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0573 0.774
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Echinococcus granulosus Tolloid protein 1 0.0013 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0018 0.0054 0.0054
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0573 0.7146
Echinococcus multilocularis tissue type plasminogen activator 0.0018 0.0054 0.0054
Leishmania major squalene monooxygenase-like protein 0.025 0.2883 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0071 0.0961
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0341 0.4603
Brugia malayi Protein kinase domain containing protein 0.0018 0.0054 0.0727
Loa Loa (eye worm) hypothetical protein 0.0018 0.0054 0.0671
Toxoplasma gondii kringle domain-containing protein 0.0018 0.0054 0.0818
Brugia malayi protein kinase C3,putative 0.0074 0.074 1
Trypanosoma brucei ingi protein (ORF1) 0.0071 0.0706 0.0302
Giardia lamblia Ribonuclease H 0.0066 0.0638 0.5
Brugia malayi Fibulin-1 precursor 0.0013 0.0002 0.0025
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0013 0.0002 0.0023
Loa Loa (eye worm) TK/ROR protein kinase 0.0018 0.0054 0.0671
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0079 0.0802 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Echinococcus granulosus laminin 0.0013 0.0002 0.0002
Onchocerca volvulus Ribonuclease H1 homolog 0.0066 0.0638 1
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0002 0.0025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.0071
Brugia malayi Calcium binding EGF domain containing protein 0.0013 0.0002 0.0025
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0573 0.774
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0018 0.0054 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.025 0.2883 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0573 0.7146
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0071 0.0961
Trypanosoma brucei squalene monooxygenase, putative 0.025 0.2883 1
Toxoplasma gondii ribonuclease HI protein 0.0066 0.0638 1
Echinococcus multilocularis ribonuclease H1 0.0066 0.0638 0.0638
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0066 0.0638 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Onchocerca volvulus 0.0018 0.0054 0.0818
Echinococcus multilocularis Tolloid protein 1 0.0013 0.0002 0.0002
Schistosoma mansoni egf-like domain protein 0.0013 0.0002 0.0002
Trypanosoma cruzi squalene monooxygenase, putative 0.025 0.2883 1
Echinococcus granulosus tissue type plasminogen activator 0.0018 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.0071 0.0888
Trypanosoma brucei RNA helicase, putative 0.0246 0.2835 0.9783
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0071 0.0706 0.0302
Echinococcus multilocularis GPCR, family 2 0.0019 0.0071 0.0071
Schistosoma mansoni atypical protein kinase C 0.0086 0.0887 0.0887
Trypanosoma brucei ingi protein (ORF1) 0.0071 0.0706 0.0302
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Trichomonas vaginalis ribonuclease H1, putative 0.0066 0.0638 0.5
Schistosoma mansoni hypothetical protein 0.0246 0.2835 0.2835
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0706 0.0302
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0068 0.0068
Echinococcus multilocularis laminin 0.0013 0.0002 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0071 0.0888
Leishmania major ribonuclease H1, putative 0.0066 0.0638 0.2064
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0013 0.0002 0.0002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0041 0.0341 0.4249
Echinococcus multilocularis fibrillin 1 0.0013 0.0002 0.0002
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Trypanosoma brucei unspecified product 0.0071 0.0706 0.0302
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0002 0.0023
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Echinococcus granulosus protein kinase c iota type 0.0081 0.0825 0.0825

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 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
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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