Detailed information for compound 845170

Basic information

Technical information
  • TDR Targets ID: 845170
  • Name: 5-chloro-N-(1,1-dioxothiolan-3-yl)-2-ethylsul fanyl-N-(furan-2-ylmethyl)pyrimidine-4-carbox amide
  • MW: 415.915 | Formula: C16H18ClN3O4S2
  • H donors: 0 H acceptors: 5 LogP: 2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccco1)Cl
  • InChi: 1S/C16H18ClN3O4S2/c1-2-25-16-18-8-13(17)14(19-16)15(21)20(9-12-4-3-6-24-12)11-5-7-26(22,23)10-11/h3-4,6,8,11H,2,5,7,9-10H2,1H3
  • InChiKey: ZWDNDLRJYHFDIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanyl-N-(2-furylmethyl)pyrimidine-4-carboxamide
  • 5-chloro-N-(1,1-dioxo-3-thiolanyl)-2-(ethylthio)-N-(2-furylmethyl)-4-pyrimidinecarboxamide
  • 5-chloro-N-(1,1-diketothiolan-3-yl)-2-(ethylthio)-N-(2-furylmethyl)pyrimidine-4-carboxamide

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
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.3007 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0358 0.9389 1
Onchocerca volvulus Bile acid receptor homolog 0.0066 0 0.5
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0358 0.9389 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0358 0.9389 1
Onchocerca volvulus 0.0066 0 0.5
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0234 0.5389 0.3732
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0377 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0358 0.9389 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0066 0 0.5
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0358 0.9389 0.5
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0377 1 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.3007 0.5
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0377 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0066 0 0.5
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0119 0.1679 0.0142
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0377 1 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0377 1 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0358 0.9389 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0377 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0327 0.8399 0.5
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0358 0.9389 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0358 0.9389 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0358 0.9389 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0358 0.9389 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0327 0.8399 0.5
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0358 0.9389 1

Activities

No activities found for this compound.

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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