Detailed information for compound 1529371

Basic information

Technical information
  • TDR Targets ID: 1529371
  • Name: T5590127
  • MW: 464.582 | Formula: C19H20N4O4S3
  • H donors: 1 H acceptors: 5 LogP: 2.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Sc1ncnc2c1ccs2)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H20N4O4S3/c1-13(29-19-16-6-11-28-18(16)20-12-21-19)17(24)22-14-2-4-15(5-3-14)30(25,26)23-7-9-27-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
  • InChiKey: KSUOYBRWPDXDFM-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 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 Uncoordinated protein 44 0.0092 0.0099 0.0241
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0204 0.1453 0.3546
Toxoplasma gondii proteasome subunit beta type 1, putative 0.033 0.2961 0.7224
Trypanosoma brucei proteasome beta 6 subunit 0.033 0.2961 0.7224
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.033 0.2961 0.7224
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0092 0.0099 0.0241
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0092 0.0107 0.026
Loa Loa (eye worm) hypothetical protein 0.0092 0.0099 0.0241
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0083 0 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0092 0.0099 0.0099
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.033 0.2961 0.7224
Echinococcus multilocularis proteasome (prosome, macropain) 0.0424 0.4098 0.4098
Trypanosoma cruzi 20S proteasome subunit 0.0204 0.1453 0.3546
Echinococcus granulosus proteasome prosome macropain 0.0424 0.4098 0.4098
Giardia lamblia Proteasome subunit beta type 1 0.033 0.2961 0.7224
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0204 0.1453 0.1453
Giardia lamblia Proteasome subunit beta type 2 0.0204 0.1453 0.3546
Brugia malayi proteasome subunit beta type 2 0.0204 0.1453 0.3546
Schistosoma mansoni netrin receptor unc5 0.0092 0.0099 0.0241
Onchocerca volvulus Netrin receptor homolog 0.0092 0.0099 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0424 0.4098 1
Schistosoma mansoni hypothetical protein 0.0092 0.0099 0.0241
Brugia malayi proteasome subunit beta type 1 0.033 0.2961 0.7224
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0204 0.1453 0.3546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.033 0.2961 0.7224
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0424 0.4098 1
Echinococcus granulosus death domain containing protein 0.0092 0.0099 0.0099
Plasmodium falciparum proteasome subunit beta type-1, putative 0.033 0.2961 0.7224
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.033 0.2961 0.2961
Schistosoma mansoni ankyrin 23/unc44 0.0092 0.0099 0.0241
Brugia malayi Proteasome A-type and B-type family protein 0.0424 0.4098 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0424 0.4098 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0092 0.0099 0.0099
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0099 0.0241
Echinococcus granulosus netrin receptor unc 5 0.0092 0.0099 0.0099
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0424 0.4098 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0424 0.4098 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0424 0.4098 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0424 0.4098 1
Plasmodium vivax proteasome subunit beta type-2, putative 0.0204 0.1453 0.3546
Echinococcus granulosus Ankyrin 0.0092 0.0107 0.0107
Leishmania major proteasome beta 2 subunit, putative 0.0204 0.1453 0.3546
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0424 0.4098 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0204 0.1453 0.3546
Leishmania major proteasome beta 5 subunit, putative 0.0424 0.4098 1
Echinococcus multilocularis netrin receptor unc 5 0.0092 0.0099 0.0099
Loa Loa (eye worm) proteasome subunit beta type 2 0.0204 0.1453 0.3546
Entamoeba histolytica proteasome subunit beta type 1, putative 0.033 0.2961 0.7224
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0204 0.1453 0.1453
Plasmodium vivax proteasome subunit beta type-1, putative 0.033 0.2961 0.7224
Echinococcus granulosus proteasome prosome macropain subunit beta 0.033 0.2961 0.2961
Echinococcus multilocularis Ankyrin 0.0092 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0092 0.0107 0.026
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0204 0.1453 0.3546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0204 0.1453 0.3546
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.033 0.2961 0.7224
Plasmodium vivax proteasome subunit beta type-5, putative 0.0424 0.4098 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0424 0.4098 1
Mycobacterium ulcerans proteasome PrcB 0.0424 0.4098 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.033 0.2961 0.7224
Brugia malayi Death domain containing protein 0.0092 0.0099 0.0241
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0204 0.1453 0.3546
Brugia malayi Protein kinase domain containing protein 0.0092 0.0099 0.0241
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0424 0.4098 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.033 0.2961 0.7224
Plasmodium falciparum proteasome subunit beta type-5 0.0424 0.4098 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0204 0.1453 0.3546
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0424 0.4098 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0204 0.1453 0.3546
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0915 1 1
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0204 0.1453 0.3546

Activities

Activity type Activity value Assay description Source 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) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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