Detailed information for compound 50936

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 404.48 | Formula: C20H24N2O5S
  • H donors: 3 H acceptors: 5 LogP: 2.12 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C[C@@H](C(=O)NCCc1ccccc1)NS(=O)(=O)CCc1ccccc1
  • InChi: 1S/C20H24N2O5S/c23-19(24)15-18(20(25)21-13-11-16-7-3-1-4-8-16)22-28(26,27)14-12-17-9-5-2-6-10-17/h1-10,18,22H,11-15H2,(H,21,25)(H,23,24)/t18-/m0/s1
  • InChiKey: FCMDQFHGCCRRSE-SFHVURJKSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1018 1 1
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0841 0.8124 0.8105
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0177 0.1074 1
Trypanosoma cruzi nucleoside transporter-like, putative 0.0177 0.1074 1
Trypanosoma cruzi nucleoside transporter-like, putative 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2, putative 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2, putative 0.0177 0.1074 1
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.0177 0.1074 1
Brugia malayi hypothetical protein 0.0177 0.1074 0.0981
Leishmania major nucleoside transporter 1, putative 0.0177 0.1074 1
Toxoplasma gondii nucleoside transporter protein 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2, putative 0.0177 0.1074 1
Trypanosoma brucei unspecified product 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2, putative 0.0177 0.1074 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1018 1 1
Schistosoma mansoni protein kinase 0.0177 0.1074 1
Loa Loa (eye worm) hypothetical protein 0.1018 1 1
Leishmania major nucleobase transporter 0.0177 0.1074 1
Loa Loa (eye worm) hypothetical protein 0.1018 1 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1018 1 1
Trypanosoma cruzi nucleoside transporter 1, putative 0.0177 0.1074 1
Schistosoma mansoni equilibrative nucleoside transporter 0.0177 0.1074 1
Trypanosoma cruzi nucleobase transporter, putative 0.0177 0.1074 1
Toxoplasma gondii nucleoside transporter protein 0.0177 0.1074 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0177 0.1074 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0177 0.1074 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0177 0.1074 1
Trypanosoma cruzi nucleobase transporter, putative 0.0177 0.1074 1
Trypanosoma brucei purine nucleoside transporter 0.0177 0.1074 1
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.1018 1 1
Giardia lamblia Hypothetical protein 0.1018 1 0.5
Trypanosoma brucei adenosine transporter, putative 0.0177 0.1074 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1018 1 1
Trypanosoma cruzi nucleobase transporter, putative 0.0177 0.1074 1
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.1018 1 1
Leishmania major nucleobase transporter 0.0177 0.1074 1
Entamoeba histolytica nucleoside transporter, putative 0.1018 1 1
Trypanosoma cruzi nucleoside transporter 1, putative 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2 0.0177 0.1074 1
Trypanosoma cruzi nucleoside transporter 1, putative 0.0177 0.1074 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.1074 0.0981
Brugia malayi hypothetical protein 0.1018 1 1
Trypanosoma brucei adenosine transporter, putative 0.0177 0.1074 1
Toxoplasma gondii nucleoside transporter protein 0.0177 0.1074 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2, putative 0.0177 0.1074 1
Echinococcus granulosus equilibrative nucleoside transporter 3 0.1018 1 1
Trypanosoma brucei nucleoside transporter 1, putative 0.0177 0.1074 1
Trypanosoma brucei unspecified product 0.0177 0.1074 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.1018 1 1
Echinococcus granulosus equilibrative nucleoside transporter 0.1018 1 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0177 0.1074 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0177 0.1074 1
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.1018 1 1
Trypanosoma brucei purine nucleoside transporter 0.0177 0.1074 1
Trypanosoma brucei nucleoside transporter 1, putative 0.0177 0.1074 1
Trypanosoma brucei adenosine transporter 2 0.0177 0.1074 1
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.1018 1 1
Leishmania major nucleoside transporter 1, putative 0.0177 0.1074 1

Activities

Activity type Activity value Assay description Source Reference
pKB (binding) = 5.5 Binding affinity for Cholecystokinin type A receptor in Guinea-Pig gall bladder 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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