Detailed information for compound 1790072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.403 | Formula: C17H14FN7S
  • H donors: 2 H acceptors: 2 LogP: 4.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)/N=N/c1c(N)nn(c1N)c1sc2c(n1)ccc(c2)C
  • InChi: 1S/C17H14FN7S/c1-9-2-7-12-13(8-9)26-17(21-12)25-16(20)14(15(19)24-25)23-22-11-5-3-10(18)4-6-11/h2-8H,20H2,1H3,(H2,19,24)/b23-22+
  • InChiKey: VKCNTFHMXONFSY-GHVJWSGMSA-N  


Substructure search Similarity search

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
Brugia malayi PXA domain containing protein 0.0155 0.0717 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0159 0.0742 0.0742
Brugia malayi PXA domain containing protein 0.0155 0.0717 0.0717
Echinococcus multilocularis regulator of G protein signaling 3 0.0155 0.0717 0.08
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0155 0.0717 0.0717
Echinococcus granulosus expressed protein 0.0155 0.0717 0.08
Echinococcus granulosus regulator of G protein signaling 3 0.0155 0.0717 0.08
Schistosoma mansoni axis inhibition protein axin 0.0155 0.0717 0.0717
Brugia malayi A-kinase anchor protein 10, precursor 0.0155 0.0717 0.0717
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0159 0.0742 0.0742
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Echinococcus multilocularis regulator of G protein signaling 7 0.0155 0.0717 0.08
Schistosoma mansoni regulator of G protein signaling 0.0155 0.0717 0.0717
Echinococcus multilocularis axis inhibition protein axin 0.0155 0.0717 0.08
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Echinococcus granulosus regulator of G protein signaling 7 0.0155 0.0717 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0102 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0155 0.0717 0.08
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0155 0.0717 0.5
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1401 0.8971 0.8971
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0102 0.5
Loa Loa (eye worm) RGS-3 protein 0.0155 0.0717 0.0717
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0102 0.5
Brugia malayi regulator of G-protein signaling rgs-7 0.0155 0.0717 0.0717
Entamoeba histolytica hypothetical protein 0.0155 0.0717 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0155 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0102 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1401 0.8971 0.8971
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0155 0.0717 0.08
Echinococcus multilocularis Regulator of G protein signaling 20 0.0155 0.0717 0.08
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0155 0.0717 0.08
Brugia malayi Regulator of G protein signaling domain containing protein 0.0155 0.0717 0.0717
Echinococcus granulosus axis inhibition protein axin 0.0155 0.0717 0.08
Echinococcus granulosus regulator of G protein signaling 7 0.0155 0.0717 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0155 0.0717 0.0717
Brugia malayi hypothetical protein 0.0155 0.0717 0.0717
Echinococcus granulosus axis inhibition protein axin 0.0155 0.0717 0.08
Echinococcus multilocularis axis inhibition protein axin 0.0155 0.0717 0.08
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Schistosoma mansoni regulator of G protein signaling 0.0155 0.0717 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Echinococcus granulosus Regulator of G protein signaling 20 0.0155 0.0717 0.08
Entamoeba histolytica hypothetical protein 0.0155 0.0717 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0159 0.0742 0.0742
Echinococcus granulosus regulator of G protein signaling 3 0.0155 0.0717 0.08
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0088 0.0098
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0155 0.0717 0.0717
Loa Loa (eye worm) PXA domain-containing protein 0.0155 0.0717 0.0717
Echinococcus multilocularis expressed protein 0.0155 0.0717 0.08
Echinococcus granulosus beta-adrenergic receptor kinase 0.0159 0.0742 0.0827
Brugia malayi hypothetical protein 0.0155 0.0717 0.0717
Echinococcus multilocularis beta adrenergic receptor kinase 0.0159 0.0742 0.0827
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0102 0.0114
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1556 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0102 0.0102
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0102 0.5
Schistosoma mansoni axis inhibition protein axin 0.0155 0.0717 0.0717
Schistosoma mansoni regulator of G protein signaling 0.0155 0.0717 0.0717
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0102 0.5
Echinococcus multilocularis regulator of G protein signaling 0.0155 0.0717 0.08
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1401 0.8971 0.8971
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0102 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0717 0.5
Schistosoma mansoni lipoxygenase 0.006 0.0088 0.0088
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1401 0.8971 1
Schistosoma mansoni serine/threonine protein kinase 0.1556 1 1
Brugia malayi regulator of G-protein signaling egl-10 0.0155 0.0717 0.0717
Schistosoma mansoni regulator of G protein signaling 0.0155 0.0717 0.0717
Entamoeba histolytica hypothetical protein 0.0155 0.0717 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0088 0.0098
Schistosoma mansoni regulator of G protein signaling 0.0155 0.0717 0.0717
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1401 0.8971 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0155 0.0717 0.08
Brugia malayi Regulator of G protein signaling domain containing protein 0.0155 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0155 0.0717 0.0717
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0155 0.0717 0.0717

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Saccharomyces cerevisiae at 2 to 64 ug/ml after 7 days by agar well diffusion method ChEMBL. No reference
Activity (functional) Antibacterial activity against Escherichia coli at 2 to 64 ug/ml after 24 hr by agar well diffusion method ChEMBL. No reference
IZ (functional) = 11 mm Antifungal activity against Candida albicans at 2 to 64 ug/ml after 7 days by agar well diffusion method ChEMBL. No reference
MIC (functional) Antibacterial activity against Escherichia coli after 24 hr by agar well diffusion method ChEMBL. No reference
MIC (functional) Antifungal activity against Saccharomyces cerevisiae after 7 days by agar well diffusion method ChEMBL. No reference
MIC (functional) = 2 ug ml-1 Antifungal activity against Candida albicans after 7 days by agar well diffusion 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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