Detailed information for compound 1792793

Basic information

Technical information
  • TDR Targets ID: 1792793
  • Name: 3-fluoro-N-[(4-sulfamoylphenyl)carbamothioyl] benzamide
  • MW: 353.392 | Formula: C14H12FN3O3S2
  • H donors: 3 H acceptors: 3 LogP: 2.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC(=O)c1cccc(c1)F)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C14H12FN3O3S2/c15-10-3-1-2-9(8-10)13(19)18-14(22)17-11-4-6-12(7-5-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
  • InChiKey: RCSKEOZFEKWCMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-fluoro-N-[[(4-sulfamoylphenyl)amino]-thioxomethyl]benzamide
  • 3-fluoro-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Canavalia ensiformis Urease Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans urease subunit alpha Get druggable targets OG5_132452 All targets in OG5_132452
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) Get druggable targets OG5_132452 All targets in OG5_132452
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
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0691 0.1471 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.2745 0.9819 0.5
Loa Loa (eye worm) hypothetical protein 0.2745 0.9819 0.5
Loa Loa (eye worm) hypothetical protein 0.2745 0.9819 0.5
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.2745 0.9819 0.5
Mycobacterium ulcerans urease subunit alpha 0.0691 0.1471 1
Brugia malayi Protein kinase domain containing protein 0.2745 0.9819 0.5
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.2745 0.9819 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.49 uM Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method ChEMBL. No reference
MIC (functional) = 0.313 ug ml-1 Antibacterial activity against Escherichia coli assessed as growth inhibition after 24 hr by NCCLS broth micro-dilution method 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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