Detailed information for compound 1804354

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)CSc1ccc(cc1)C
  • InChi: 1S/C10H9F3OS/c1-7-2-4-8(5-3-7)15-6-9(14)10(11,12)13/h2-5H,6H2,1H3
  • InChiKey: DXUAYHVZAGHKSB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 granulosus Dipeptidyl peptidase 9 0.2015 1 1
Echinococcus granulosus geminin 0.0169 0.0443 0.0443
Trichomonas vaginalis conserved hypothetical protein 0.0271 0.0971 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0194 0.0571 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0271 0.0971 0.0971
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.1558 0.7635 0.7635
Echinococcus granulosus prolyl endopeptidase 0.0271 0.0971 0.0971
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0271 0.0971 0.0971
Loa Loa (eye worm) hypothetical protein 0.0879 0.4119 0.5127
Brugia malayi hypothetical protein 0.0879 0.4119 0.4119
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0271 0.0971 1
Brugia malayi prolyl oligopeptidase family protein 0.0271 0.0971 0.0971
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.1558 0.7635 0.7635
Trypanosoma cruzi oligopeptidase b 0.0271 0.0971 0.0971
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1635 0.8033 0.8033
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0271 0.0971 1
Brugia malayi prolyl oligopeptidase family protein 0.0271 0.0971 0.0971
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0271 0.0971 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.2015 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0271 0.0971 1
Loa Loa (eye worm) hypothetical protein 0.1136 0.5448 0.6782
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1635 0.8033 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0271 0.0971 0.0971
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0271 0.0971 0.1757
Toxoplasma gondii prolyl endopeptidase 0.0271 0.0971 0.1757
Trypanosoma cruzi hypothetical protein, conserved 0.0271 0.0971 0.0971
Echinococcus multilocularis prolyl endopeptidase 0.0271 0.0971 0.0971
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0271 0.0971 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0271 0.0971 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1635 0.8033 0.8033
Schistosoma mansoni hypothetical protein 0.0169 0.0443 0.0443
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0271 0.0971 1
Trypanosoma cruzi prolyl endopeptidase 0.0271 0.0971 0.0971
Schistosoma mansoni hypothetical protein 0.0169 0.0443 0.0443
Loa Loa (eye worm) prolyl oligopeptidase 0.1635 0.8033 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0194 0.0571 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0271 0.0971 0.0971
Echinococcus multilocularis Dipeptidyl peptidase 9 0.2015 1 1
Plasmodium vivax hypothetical protein, conserved 0.0271 0.0971 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0271 0.0971 0.0971
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.2015 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0271 0.0971 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.0971 0.1208
Schistosoma mansoni amine GPCR 0.0346 0.1357 0.1357
Echinococcus multilocularis geminin 0.0169 0.0443 0.0443
Entamoeba histolytica prolyl oligopeptidase family protein 0.0271 0.0971 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.2015 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0271 0.0971 0.1208
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.1558 0.7635 0.7635
Plasmodium falciparum peptidase, putative 0.0271 0.0971 1
Trypanosoma cruzi hypothetical protein, conserved 0.0271 0.0971 0.0971
Trypanosoma cruzi oligopeptidase b 0.0271 0.0971 0.0971
Brugia malayi prolyl oligopeptidase family protein 0.0271 0.0971 0.0971
Echinococcus multilocularis acylamino acid releasing enzyme 0.0271 0.0971 0.0971
Entamoeba histolytica prolyl oligopeptidase family protein 0.0271 0.0971 1
Brugia malayi prolyl oligopeptidase family protein 0.1635 0.8033 0.8033
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.2015 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.2015 1 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.0971 0.1208
Echinococcus granulosus acylamino acid releasing enzyme 0.0271 0.0971 0.0971
Onchocerca volvulus Prolyl endopeptidase homolog 0.0271 0.0971 0.1208
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0194 0.0571 0.1034
Trichomonas vaginalis hypothetical protein 0.0194 0.0571 0.5884
Mycobacterium tuberculosis Probable peptidase 0.0271 0.0971 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0271 0.0971 0.0971
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.2015 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0271 0.0971 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.115 0.5523 1
Toxoplasma gondii hypothetical protein 0.0271 0.0971 0.1757
Giardia lamblia Alanyl dipeptidyl peptidase 0.0271 0.0971 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1635 0.8033 0.8033
Giardia lamblia Alanyl dipeptidyl peptidase 0.0271 0.0971 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.