Detailed information for compound 1844629

Basic information

Technical information
  • TDR Targets ID: 1844629
  • Name: N-(5-mesyl-1,3,4-thiadiazol-2-yl)-2-phenyl-ci nchoninamide
  • MW: 410.469 | Formula: C19H14N4O3S2
  • H donors: 1 H acceptors: 6 LogP: 3.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nc2c1cccc2)c1ccccc1)Nc1nnc(s1)S(=O)(=O)C
  • InChi: 1S/C19H14N4O3S2/c1-28(25,26)19-23-22-18(27-19)21-17(24)14-11-16(12-7-3-2-4-8-12)20-15-10-6-5-9-13(14)15/h2-11H,1H3,(H,21,22,24)
  • InChiKey: DOXSZBZIYUBWIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
  • N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-2-phenyl-quinoline-4-carboxamide
  • N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide

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
Giardia lamblia Kinase, CK1 Casein kinase 0.004 0.008 0.5
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0043 0.0399 1
Echinococcus multilocularis G protein coupled receptor kinase 6 0.012 0.8105 0.809
Trypanosoma cruzi casein kinase, putative 0.004 0.008 0.1997
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.012 0.8105 0.809
Onchocerca volvulus 0.004 0.008 1
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.943 0.9426
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0043 0.0399 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.012 0.8105 0.809
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0133 0.943 0.9426
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.012 0.8105 0.809
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0133 0.943 0.9426
Trypanosoma cruzi casein kinase, putative 0.004 0.008 0.1997
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.012 0.8105 0.809
Trypanosoma cruzi casein kinase, putative 0.004 0.008 0.1997
Leishmania major ubiquitin activating enzyme, putative 0.0043 0.0399 1
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0043 0.0399 1
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0139 1 1
Trypanosoma cruzi casein kinase, putative 0.004 0.008 0.1997
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0043 0.0399 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0139 1 1
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0139 1 1
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0043 0.0399 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.01 0.6123 1
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0139 1 1
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0139 1 1
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0139 1 1
Trypanosoma cruzi casein kinase, putative 0.004 0.008 0.1997
Trypanosoma cruzi casein kinase, delta isoform, putative 0.004 0.008 0.1997
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0043 0.0399 0.0529

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 18 mm Antimicrobial activity against Escherichia coli NCTC 10418 at 1 mg/ml after 24 hr by cup diffusion technique ChEMBL. No reference
IZ (functional) = 19 mm Antimicrobial activity against Candida albicans ATCC 10231 at 1 mg/ml after 24 hr by cup diffusion technique 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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