Detailed information for compound 1315862

Basic information

Technical information
  • TDR Targets ID: 1315862
  • Name: E565-0377
  • MW: 441.57 | Formula: C21H23N5O2S2
  • H donors: 1 H acceptors: 5 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NC1CCCC1)c1c2ccs1)C
  • InChi: 1S/C21H23N5O2S2/c1-13(2)14-7-9-16(10-8-14)30(27,28)21-20-23-19(22-15-5-3-4-6-15)18-17(11-12-29-18)26(20)25-24-21/h7-13,15H,3-6H2,1-2H3,(H,22,23)
  • InChiKey: JBNHYCPCSPBBMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00122866-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Plasmodium falciparum cysteine repeat modular protein 1 0.0018 0.0054 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0573 0.774
Loa Loa (eye worm) hypothetical protein 0.006 0.0573 0.7146
Schistosoma mansoni hypothetical protein 0.0246 0.2835 0.2835
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.0071
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0071 0.0961
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0013 0.0002 0.0023
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0573 0.774
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Trypanosoma cruzi squalene monooxygenase, putative 0.025 0.2883 1
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0638 0.2064
Toxoplasma gondii kringle domain-containing protein 0.0018 0.0054 0.0818
Echinococcus multilocularis laminin 0.0013 0.0002 0.0002
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0002 0.0025
Onchocerca volvulus 0.0018 0.0054 0.0818
Trypanosoma cruzi squalene monooxygenase, putative 0.025 0.2883 1
Leishmania major squalene monooxygenase-like protein 0.025 0.2883 1
Echinococcus granulosus protein kinase c iota type 0.0081 0.0825 0.0825
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.0071
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Trypanosoma brucei unspecified product 0.0071 0.0706 0.0302
Echinococcus multilocularis protein kinase c iota type 0.0081 0.0825 0.0825
Trypanosoma brucei ingi protein (ORF1) 0.0071 0.0706 0.0302
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0071 0.0961
Schistosoma mansoni atypical protein kinase C 0.0086 0.0887 0.0887
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Toxoplasma gondii ribonuclease HI protein 0.0066 0.0638 1
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0071
Brugia malayi Fibulin-1 precursor 0.0013 0.0002 0.0025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0071 0.0888
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
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 hypothetical protein 0.0019 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0041 0.0341 0.0341
Trichomonas vaginalis ribonuclease H1, putative 0.0066 0.0638 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0013 0.0002 0.0025
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Echinococcus multilocularis ribonuclease H1 0.0066 0.0638 0.0638
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0079 0.0802 1
Schistosoma mansoni phosphoglucomutase 0.0066 0.0638 0.0638
Echinococcus multilocularis GPCR, family 2 0.0019 0.0071 0.0071
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0013 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0071 0.0888
Giardia lamblia Ribonuclease H 0.0066 0.0638 0.5
Brugia malayi protein kinase C3,putative 0.0074 0.074 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0018 0.0054 0.5
Onchocerca volvulus Ribonuclease H1 homolog 0.0066 0.0638 1
Echinococcus granulosus laminin 0.0013 0.0002 0.0002
Echinococcus granulosus ribonuclease H1 0.0066 0.0638 0.0638
Treponema pallidum ribonuclease H (rnhA) 0.0066 0.0638 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0071 0.0071
Echinococcus multilocularis fibrillin 1 0.0013 0.0002 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0041 0.0341 0.4249
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0341 0.4603
Trypanosoma brucei squalene monooxygenase, putative 0.025 0.2883 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0054 0.0671
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0002 0.0023
Trypanosoma brucei RNA helicase, putative 0.0246 0.2835 0.9783
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.0071
Loa Loa (eye worm) TK/ROR protein kinase 0.0018 0.0054 0.0671
Brugia malayi Kringle domain containing protein 0.0018 0.0054 0.0727
Schistosoma mansoni hypothetical protein 0.0018 0.0054 0.0054
Brugia malayi Protein kinase domain containing protein 0.0018 0.0054 0.0727
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0071 0.0706 0.0302
Brugia malayi RNase H family protein 0.0066 0.0638 0.8616
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0706 0.0302
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0638 0.2064
Echinococcus multilocularis Tolloid protein 1 0.0013 0.0002 0.0002
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0013 0.0002 0.0023
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0573 0.7146
Echinococcus granulosus tissue type plasminogen activator 0.0018 0.0054 0.0054
Trypanosoma brucei ingi protein (ORF1) 0.0071 0.0706 0.0302
Echinococcus granulosus Tolloid protein 1 0.0013 0.0002 0.0002
Schistosoma mansoni egf-like domain protein 0.0013 0.0002 0.0002
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
Echinococcus multilocularis tissue type plasminogen activator 0.0018 0.0054 0.0054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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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