Detailed information for compound 1525552

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.38 | Formula: C18H14N2O3S
  • H donors: 0 H acceptors: 4 LogP: 3.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(n1)cccc2
  • InChi: 1S/C18H14N2O3S/c1-2-24(21,22)13-8-10-17-16(11-13)20-18(23-17)15-9-7-12-5-3-4-6-14(12)19-15/h3-11H,2H2,1H3
  • InChiKey: RYTDWCGLUDPQGA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 0.0101 0.0061 0.0061
Echinococcus multilocularis voltage dependent calcium channel 0.0484 0.1986 0.1489
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0773 0.3437 0.2681
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0484 0.1986 0.1937
Toxoplasma gondii fructose-bisphospatase II 0.2078 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2078 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0484 0.1986 0.1489
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2078 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0484 0.1986 0.1937
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0484 0.1986 0.1937
Echinococcus multilocularis voltage dependent calcium channel 0.0484 0.1986 0.1489
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0158 0.0344 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0158 0.0344 0.5
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0773 0.3437 0.2681
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2078 1 1
Toxoplasma gondii transporter, cation channel family protein 0.0101 0.0061 0.0061
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0484 0.1986 0.1489
Mycobacterium ulcerans hypothetical protein 0.0158 0.0344 0.5
Loa Loa (eye worm) hypothetical protein 0.0484 0.1986 0.1986
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0158 0.0344 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2078 1 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0158 0.0344 0.5
Loa Loa (eye worm) calcium channel 0.0484 0.1986 0.1986
Toxoplasma gondii fructose-bisphospatase I 0.0773 0.3437 0.3437
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0205 0.0584 0.0526
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0158 0.0344 0.5
Leishmania major 0.2078 1 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0484 0.1986 0.1489
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0484 0.1986 0.1489
Echinococcus granulosus voltage dependent calcium channel 0.0484 0.1986 0.1937
Loa Loa (eye worm) voltage-dependent calcium channel 0.0101 0.0061 0.0061
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2078 1 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0773 0.3437 0.3437
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2078 1 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2078 1 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0773 0.3437 0.2681

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 59 % Activation of UTRN promoter in mouse H2K cells assessed as upregulation of UTRN production at 3 uM after 48 hrs by luciferase reporter linked assay ChEMBL. 21456623

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.