Detailed information for compound 1788706

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.701 | Formula: C12H13ClFN3O3
  • H donors: 0 H acceptors: 3 LogP: 2.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(=O)CN1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
  • InChi: 1S/C12H13ClFN3O3/c13-12(18)8-15-3-5-16(6-4-15)11-2-1-9(17(19)20)7-10(11)14/h1-2,7H,3-6,8H2
  • InChiKey: AILOMKNFDNRPHP-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
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0181 0.0092 0.0092
Schistosoma mansoni regulator of G protein signaling 0.0181 0.0092 0.0092
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1633 0.8902 0.8892
Echinococcus granulosus axis inhibition protein axin 0.0181 0.0092 0.0103
Echinococcus granulosus regulator of G protein signaling 7 0.0181 0.0092 0.0103
Echinococcus granulosus regulator of G protein signaling 7 0.0181 0.0092 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Echinococcus granulosus axis inhibition protein axin 0.0181 0.0092 0.0103
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1633 0.8902 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1633 0.8902 0.8892
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0185 0.0118 0.0027
Echinococcus granulosus regulator of G protein signaling 3 0.0181 0.0092 0.0103
Schistosoma mansoni axis inhibition protein axin 0.0181 0.0092 0.0092
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.0118 0.0118
Echinococcus granulosus expressed protein 0.0181 0.0092 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Entamoeba histolytica hypothetical protein 0.0181 0.0092 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1814 1 1
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1633 0.8902 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0185 0.0118 0.0133
Schistosoma mansoni regulator of G protein signaling 0.0181 0.0092 0.0092
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1633 0.8902 0.8892
Schistosoma mansoni regulator of G protein signaling 0.0181 0.0092 0.0092
Echinococcus multilocularis axis inhibition protein axin 0.0181 0.0092 0.0103
Echinococcus multilocularis regulator of G protein signaling 7 0.0181 0.0092 0.0103
Echinococcus multilocularis axis inhibition protein axin 0.0181 0.0092 0.0103
Schistosoma mansoni z-protein (S1r protein) 0.0181 0.0092 0.0092
Entamoeba histolytica hypothetical protein 0.0181 0.0092 0.5
Schistosoma mansoni axis inhibition protein axin 0.0181 0.0092 0.0092
Echinococcus granulosus beta-adrenergic receptor kinase 0.0185 0.0118 0.0133
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1814 1 1
Echinococcus multilocularis regulator of G protein signaling 0.0181 0.0092 0.0103
Schistosoma mansoni regulator of G protein signaling 0.0181 0.0092 0.0092
Schistosoma mansoni regulator of G protein signaling 0.0181 0.0092 0.0092
Echinococcus granulosus Regulator of G protein signaling 20 0.0181 0.0092 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0181 0.0092 0.5
Echinococcus multilocularis regulator of G protein signaling 3 0.0181 0.0092 0.0103
Echinococcus multilocularis expressed protein 0.0181 0.0092 0.0103
Entamoeba histolytica hypothetical protein 0.0181 0.0092 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0181 0.0092 0.0092
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.0118 0.0118
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0181 0.0092 0.0103
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0181 0.0092 0.0103
Echinococcus granulosus regulator of G protein signaling 3 0.0181 0.0092 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Echinococcus multilocularis Regulator of G protein signaling 20 0.0181 0.0092 0.0103
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0181 0.0092 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.0092 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0181 0.0092 0.0103
Echinococcus multilocularis regulator of G protein signaling 3 0.0181 0.0092 0.0103

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 25 % Inhibition of jack bean urease using urea as substrate assessed as ammonia production at 250 ug/ml after 15 mins relative to control ChEMBL. 24095755
IZ (functional) = 6 mm Antimicrobial activity against Escherichia coli ATCC 25922 ChEMBL. 24095755
IZ (functional) = 15 mm Antimicrobial activity against Candida albicans ATCC 60193 ChEMBL. 24095755
IZ (functional) = 30 mm Antimicrobial activity against Saccharomyces cerevisiae RSKK 251 ChEMBL. 24095755

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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