Detailed information for compound 1802330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 234.238 | Formula: C10H9F3OS
  • H donors: 0 H acceptors: 1 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(F)(F)F)CSc1ccccc1C
  • InChi: 1S/C10H9F3OS/c1-7-4-2-3-5-8(7)15-6-9(14)10(11,12)13/h2-5H,6H2,1H3
  • InChiKey: PYROHQUYGVOELJ-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
Brugia malayi SH2 domain containing protein 0.0014 0.0291 0.0291
Schistosoma mansoni tyrosine kinase 0.0025 0.1303 0.1303
Loa Loa (eye worm) hypothetical protein 0.012 1 1
Loa Loa (eye worm) AGC/PKA protein kinase 0.012 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0025 0.1303 0.1303
Brugia malayi Protein kinase domain containing protein 0.0014 0.0291 0.0291
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.012 1 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0291 0.0291
Loa Loa (eye worm) SRC-1 0.0025 0.1303 0.1303
Echinococcus granulosus NCK adaptor protein 0.0022 0.1012 0.1012
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Brugia malayi Sex muscle abnormal protein 5 0.0022 0.1012 0.1012
Onchocerca volvulus 0.0014 0.0291 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0025 0.1303 0.1303
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.012 1 1
Echinococcus granulosus tyrosine kinase 0.0014 0.0291 0.0291
Echinococcus granulosus growth factor receptor bound protein 2 0.0022 0.1012 0.1012
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.012 1 1
Loa Loa (eye worm) TK protein kinase 0.0014 0.0291 0.0291
Schistosoma mansoni growth factor receptor-bound protein 0.0022 0.1012 0.1012
Leishmania major protein kinase A catalytic subunit 0.012 1 0.5
Leishmania major protein kinase A catalytic subunit isoform 2 0.012 1 0.5
Echinococcus granulosus c src tyrosine kinase 0.0025 0.1303 0.1303
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0022 0.1012 0.1012
Brugia malayi Variant SH3 domain containing protein 0.0022 0.1012 0.1012
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0025 0.1303 0.1303
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.012 1 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0014 0.0291 0.0291
Echinococcus multilocularis growth factor receptor bound protein 2 0.0022 0.1012 0.1012
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.012 1 1
Brugia malayi Protein kinase domain containing protein 0.0014 0.0291 0.0291
Brugia malayi SRC-1 0.0025 0.1303 0.1303
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.012 1 0.5
Echinococcus granulosus tyrosine protein kinase Srms 0.0014 0.0291 0.0291
Echinococcus granulosus tyrosine protein kinase ABL1 0.0014 0.0291 0.0291
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.012 1 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0014 0.0291 0.0291
Schistosoma mansoni nck2/grb4 0.0022 0.1012 0.1012
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0014 0.0291 0.0291
Echinococcus multilocularis tyrosine protein kinase Abl 0.0025 0.1303 0.1303
Loa Loa (eye worm) AGC/PKA protein kinase 0.012 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0025 0.1303 0.1303
Leishmania major protein kinase A catalytic subunit isoform 1 0.012 1 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Trichomonas vaginalis AGC family protein kinase 0.012 1 0.5
Onchocerca volvulus 0.0012 0.0101 0.3453
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0022 0.1012 0.1012
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.012 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0025 0.1303 0.1303
Toxoplasma gondii AGC kinase 0.012 1 0.5
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.012 1 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0025 0.1303 0.1303
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.012 1 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0014 0.0291 0.0291
Schistosoma mansoni tyrosine kinase 0.0014 0.0291 0.0291
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0118 0.9874 0.9874
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Schistosoma mansoni tyrosine kinase 0.0025 0.1303 0.1303
Onchocerca volvulus 0.0014 0.0291 1
Echinococcus granulosus tyrosine protein kinase shark 0.0014 0.0291 0.0291
Onchocerca volvulus 0.0014 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0291 0.0291
Schistosoma mansoni tyrosine kinase 0.0025 0.1303 0.1303
Onchocerca volvulus 0.0014 0.0291 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0022 0.1012 0.1012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0025 0.1303 0.1303
Giardia lamblia Kinase, AGC PKA 0.012 1 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.012 1 1
Echinococcus granulosus tyrosine kinase 0.0014 0.0291 0.0291
Brugia malayi protein-tyrosine kinase 0.0014 0.0291 0.0291
Echinococcus multilocularis tyrosine protein kinase Blk 0.0014 0.0291 0.0291
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.012 1 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0025 0.1303 0.1303
Brugia malayi Protein kinase domain containing protein 0.0014 0.0291 0.0291
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.012 1 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0014 0.0291 0.0291
Toxoplasma gondii AGC kinase 0.012 1 0.5
Echinococcus multilocularis tyrosine kinase 0.0014 0.0291 0.0291
Onchocerca volvulus 0.0014 0.0291 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0025 0.1303 0.1303
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0025 0.1303 0.1303
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.012 1 0.5
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0118 0.9874 0.9874
Schistosoma mansoni serine/threonine protein kinase 0.012 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.012 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0014 0.0291 0.0291
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0266 0.0266
Echinococcus granulosus tyrosine protein kinase Src64B 0.0025 0.1303 0.1303
Brugia malayi Tyrosine-protein kinase abl-1 0.0025 0.1303 0.1303
Schistosoma mansoni serine/threonine protein kinase 0.012 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0013 0.0126 0.0126
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Schistosoma mansoni tyrosine kinase 0.0025 0.1303 0.1303
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0014 0.0291 0.0291
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0014 0.0291 0.0291
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0025 0.1303 0.1303
Entamoeba histolytica PH domain containing protein kinase, putative 0.012 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0027 0.1429 0.1429
Schistosoma mansoni adapter molecule crk 0.0022 0.1012 0.1012
Loa Loa (eye worm) hypothetical protein 0.0022 0.1012 0.1012
Brugia malayi Variant SH3 domain containing protein 0.0022 0.1012 0.1012
Brugia malayi hypothetical protein 0.0014 0.0291 0.0291
Echinococcus multilocularis NCK adaptor protein 0.0022 0.1012 0.1012
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0025 0.1303 0.1303
Schistosoma mansoni growth factor receptor-bound protein 0.0022 0.1012 0.1012
Entamoeba histolytica protein kinase, putative 0.0013 0.0126 0.0126
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.012 1 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.012 1 1
Brugia malayi Protein kinase domain containing protein 0.0014 0.0291 0.0291
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0025 0.1303 0.1303
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Brugia malayi Protein kinase domain containing protein 0.0014 0.0291 0.0291
Schistosoma mansoni serine/threonine protein kinase 0.012 1 1
Brugia malayi SH2 domain containing protein 0.0014 0.0291 0.0291
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0291 0.0291
Onchocerca volvulus 0.0014 0.0291 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.1303 0.1303
Schistosoma mansoni tyrosine kinase 0.0014 0.0291 0.0291
Entamoeba histolytica PH domain containing protein kinase, putative 0.012 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0014 0.0291 0.0291

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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