Detailed information for compound 420166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.374 | Formula: C16H14N4OS
  • H donors: 0 H acceptors: 3 LogP: 2.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+](c1nccn1C)Cc1nc2ccccc2n2c1ccc2
  • InChi: 1S/C16H14N4OS/c1-19-10-8-17-16(19)22(21)11-13-15-7-4-9-20(15)14-6-3-2-5-12(14)18-13/h2-10H,11H2,1H3
  • InChiKey: JWKZUNIUQWLFQV-UHFFFAOYSA-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 0.9177 0.8396 0.7312
Entamoeba histolytica geranylgeranyl transferase beta subunit 1.0344 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.9177 0.8396 0.7312
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.3069 0 0.5
Trypanosoma brucei protein farnesyltransferase beta subunit 0.6003 0.4033 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.9177 0.8396 0.7312
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.9177 0.8396 0.7312
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 1.0344 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 1.0344 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.9177 0.8396 0.7312
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.9177 0.8396 0.7312
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 1.0344 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.9177 0.8396 1
Toxoplasma gondii hypothetical protein 0.6653 0.4926 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 1.0344 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.6003 0.4033 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 1.0344 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.9177 0.8396 0.7312
Plasmodium vivax farnesyltransferase beta subunit, putative 0.6003 0.4033 0.4536
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 1.0344 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.9177 0.8396 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.9177 0.8396 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.6003 0.4033 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.9177 0.8396 0.7312
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.6653 0.4926 0.1496
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.9177 0.8396 0.7312
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.9177 0.8396 0.7312
Leishmania major farnesyltransferase beta subunit 0.6003 0.4033 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 40 % Increase in 16 ug/ml norfloxacin accumulation in Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml after 20 mins ChEMBL. 17101679
Drug uptake (functional) = 270 ng/mg Increase in 16 ug/ml norfloxacin accumulation in Staphylococcus aureus SA1199B mutant overexpressing NorA measured per milligram of cell protein at 128 ug/ml after 5 mins ChEMBL. 17101679
Drug uptake (functional) = 400 ng/mg Increase in 16 ug/ml norfloxacin accumulation in Staphylococcus aureus SA1199B mutant overexpressing NorA measured per milligram of cell protein at 128 ug/ml after 20 mins ChEMBL. 17101679
IZ (functional) = 6 mm Increase in 5 ug norfloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 14 mm Increase in 5 ug ciprofloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 19 mm Increase in 5 ug ofloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 22 mm Increase in 5 ug levofloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 25 mm Increase in 30 ug chloramphenicol antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 27 mm Increase in 5 ug sparfloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
IZ (functional) = 27 mm Increase in 5 ug moxifloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by disk diffusion method ChEMBL. 17101679
MIC (functional) = 2 ug ml-1 Increase in 2 ug/ml norfloxacin antibacterial activity against wild type Staphylococcus aureus SA1199 at 128 ug/ml by checker board method ChEMBL. 17101679
MIC (functional) = 32 ug ml-1 Increase in 64 ug/ml norfloxacin antibacterial activity against Staphylococcus aureus SA1199B mutant overexpressing NorA at 128 ug/ml by checker board method ChEMBL. 17101679
MIC (functional) > 512 ug ml-1 Antibacterial activity against Staphylococcus aureus ChEMBL. 17101679

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

1 literature reference was collected for this gene.

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