Detailed information for compound 1788857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.272 | Formula: C13H8FNOS
  • H donors: 0 H acceptors: 1 LogP: 3.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Oc1ccnc2c1scc2
  • InChi: 1S/C13H8FNOS/c14-9-1-3-10(4-2-9)16-12-5-7-15-11-6-8-17-13(11)12/h1-8H
  • InChiKey: GKLPMUYLXARXRQ-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 0.021 0.0802 0.0802
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.021 0.0802 0.0893
Echinococcus multilocularis axis inhibition protein axin 0.021 0.0802 0.0893
Schistosoma mansoni regulator of G protein signaling 0.021 0.0802 0.0802
Echinococcus multilocularis regulator of G protein signaling 7 0.021 0.0802 0.0893
Schistosoma mansoni axis inhibition protein axin 0.021 0.0802 0.0802
Brugia malayi A-kinase anchor protein 10, precursor 0.021 0.0802 0.0802
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0216 0.0827 0.0827
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.021 0.0802 0.0802
Echinococcus granulosus expressed protein 0.021 0.0802 0.0893
Echinococcus granulosus regulator of G protein signaling 3 0.021 0.0802 0.0893
Echinococcus multilocularis regulator of G protein signaling 3 0.021 0.0802 0.0893
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.021 0.0802 0.0802
Brugia malayi PXA domain containing protein 0.021 0.0802 0.0802
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.0827 0.0827
Brugia malayi PXA domain containing protein 0.021 0.0802 0.0802
Brugia malayi Regulator of G protein signaling domain containing protein 0.021 0.0802 0.0802
Echinococcus granulosus axis inhibition protein axin 0.021 0.0802 0.0893
Echinococcus granulosus regulator of G protein signaling 7 0.021 0.0802 0.0893
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1899 0.8981 0.8981
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.021 0.0802 0.0893
Echinococcus multilocularis Regulator of G protein signaling 20 0.021 0.0802 0.0893
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.021 0.0802 0.0893
Schistosoma mansoni z-protein (S1r protein) 0.021 0.0802 0.0802
Loa Loa (eye worm) hypothetical protein 0.021 0.0802 0.0802
Loa Loa (eye worm) hypothetical protein 0.021 0.0802 0.0802
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0071 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0071 0.5
Loa Loa (eye worm) RGS-3 protein 0.021 0.0802 0.0802
Brugia malayi regulator of G-protein signaling rgs-7 0.021 0.0802 0.0802
Entamoeba histolytica hypothetical protein 0.021 0.0802 0.5
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1899 0.8981 0.8981
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.021 0.0802 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0071 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.021 0.0802 0.0893
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0071 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.021 0.0802 0.0802
Loa Loa (eye worm) PXA domain-containing protein 0.021 0.0802 0.0802
Echinococcus granulosus regulator of G protein signaling 3 0.021 0.0802 0.0893
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0061 0.0068
Entamoeba histolytica hypothetical protein 0.021 0.0802 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.0827 0.0827
Schistosoma mansoni regulator of G protein signaling 0.021 0.0802 0.0802
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Echinococcus granulosus Regulator of G protein signaling 20 0.021 0.0802 0.0893
Echinococcus multilocularis axis inhibition protein axin 0.021 0.0802 0.0893
Loa Loa (eye worm) hypothetical protein 0.021 0.0802 0.0802
Brugia malayi hypothetical protein 0.021 0.0802 0.0802
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.021 0.0802 0.0802
Echinococcus granulosus axis inhibition protein axin 0.021 0.0802 0.0893
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Loa Loa (eye worm) hypothetical protein 0.021 0.0802 0.0802
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.021 0.0802 0.0802
Brugia malayi Regulator of G protein signaling domain containing protein 0.021 0.0802 0.0802
Echinococcus multilocularis regulator of G protein signaling 3 0.021 0.0802 0.0893
Entamoeba histolytica hypothetical protein 0.021 0.0802 0.5
Schistosoma mansoni regulator of G protein signaling 0.021 0.0802 0.0802
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0061 0.0068
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1899 0.8981 1
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0802 0.5
Schistosoma mansoni lipoxygenase 0.0057 0.0061 0.0061
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1899 0.8981 1
Schistosoma mansoni serine/threonine protein kinase 0.211 1 1
Brugia malayi regulator of G-protein signaling egl-10 0.021 0.0802 0.0802
Schistosoma mansoni regulator of G protein signaling 0.021 0.0802 0.0802
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0071 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0071 0.0079
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1899 0.8981 0.8981
Echinococcus multilocularis regulator of G protein signaling 0.021 0.0802 0.0893
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.211 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0071 0.0071
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0071 0.5
Schistosoma mansoni axis inhibition protein axin 0.021 0.0802 0.0802
Schistosoma mansoni regulator of G protein signaling 0.021 0.0802 0.0802
Echinococcus multilocularis beta adrenergic receptor kinase 0.0216 0.0827 0.0921
Echinococcus multilocularis expressed protein 0.021 0.0802 0.0893
Brugia malayi hypothetical protein 0.021 0.0802 0.0802
Echinococcus granulosus beta-adrenergic receptor kinase 0.0216 0.0827 0.0921
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0071 0.0079

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 88.08 uM Growth inhibition of human HCT15 cells after 48 hrs by SRB assay ChEMBL. 24121236

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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