Detailed information for compound 1804704

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.336 | Formula: C14H7F4NS2
  • H donors: 0 H acceptors: 1 LogP: 5.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1CSc1nc2c(s1)c(F)c(cc2)F)F
  • InChi: 1S/C14H7F4NS2/c15-8-2-1-3-9(16)7(8)6-20-14-19-11-5-4-10(17)12(18)13(11)21-14/h1-5H,6H2
  • InChiKey: QUBSHEYMUNJAEN-UHFFFAOYSA-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
Echinococcus multilocularis 0.0804 0.9867 0.9867
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.014 0.014
Brugia malayi Protein kinase domain containing protein 0.0803 0.986 0.986
Echinococcus granulosus dual specificity 0.0803 0.986 0.986
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0814 1 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0814 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0814 1 1
Loa Loa (eye worm) hypothetical protein 0.0793 0.9727 0.9723
Trichomonas vaginalis CMGC family protein kinase 0.0814 1 0.5
Entamoeba histolytica protein kinase, putative 0.0803 0.986 1
Entamoeba histolytica protein kinase, putative 0.0803 0.986 1
Leishmania major protein kinase, putative 0.0814 1 1
Brugia malayi follicle stimulating hormone receptor 0.0258 0.281 0.281
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0814 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.281 0.2708
Plasmodium vivax serine/threonine kinase-1, putative 0.0814 1 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.0814 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0814 1 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0814 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0814 1 1
Giardia lamblia Kinase, CMGC CLK 0.0814 1 0.5
Leishmania major protein kinase, putative 0.0814 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0814 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.014 0.014
Entamoeba histolytica protein kinase domain containing protein 0.0803 0.986 1
Schistosoma mansoni serine/threonine protein kinase 0.0814 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.014 0.014
Echinococcus multilocularis dual specificity 0.0803 0.986 0.986
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0814 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0804 0.9867 0.9865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.014 0.014
Plasmodium falciparum protein serine/threonine kinase-1 0.0814 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0793 0.9727 0.9723
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0803 0.986 0.9858
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.014 0.014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.014 0.014
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0814 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.014 0.014
Entamoeba histolytica hypothetical protein 0.0803 0.986 1
Schistosoma mansoni serine/threonine protein kinase 0.0803 0.986 0.986
Echinococcus granulosus hypothetical protein 0.0804 0.9867 0.9867

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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