Detailed information for compound 1806314

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.345 | Formula: C14H8F3NS2
  • H donors: 0 H acceptors: 1 LogP: 5.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1CSc1nc2c(s1)c(F)c(cc2)F
  • InChi: 1S/C14H8F3NS2/c15-9-4-2-1-3-8(9)7-19-14-18-11-6-5-10(16)12(17)13(11)20-14/h1-6H,7H2
  • InChiKey: MYGVRTPSIBENHI-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 Cathepsin L-like precursor 0.0514 0.2495 0.2495
Trypanosoma brucei oligopeptidase b 0.031 0.0302 0.0678
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Trypanosoma cruzi oligopeptidase b 0.031 0.0302 0.0302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Brugia malayi Cathepsin L-like precursor 0.0514 0.2495 0.2495
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0742 0.4931 0.4931
Trypanosoma brucei prolyl endopeptidase 0.0697 0.4455 1
Giardia lamblia Cathepsin B precursor 0.046 0.1918 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0514 0.2495 0.2495
Trypanosoma cruzi cysteine peptidase, putative 0.0514 0.2495 0.2495
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0742 0.4931 1
Brugia malayi Cathepsin L-like precursor 0.0514 0.2495 0.2495
Loa Loa (eye worm) cysteine protease 0.0514 0.2495 0.1847
Brugia malayi Cathepsin L-like precursor 0.0514 0.2495 0.2495
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Loa Loa (eye worm) prolyl oligopeptidase 0.0742 0.4931 0.4494
Giardia lamblia Cathepsin B precursor 0.046 0.1918 0.5
Leishmania major cysteine peptidase A (CPA) 0.0514 0.2495 0.5459
Entamoeba histolytica cysteine proteinase, putative 0.0514 0.2495 1
Plasmodium vivax vivapain-2 0.0514 0.2495 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0742 0.4931 0.4931
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.046 0.1918 0.1918
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Brugia malayi prolyl oligopeptidase family protein 0.0294 0.0139 0.0139
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0514 0.2495 1
Leishmania major oligopeptidase b 0.031 0.0302 0.0378
Trypanosoma brucei cysteine peptidase C (CPC) 0.046 0.1918 0.4306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.031 0.0302 0.0678
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Onchocerca volvulus 0.0514 0.2495 0.4111
Echinococcus multilocularis prolyl endopeptidase 0.0697 0.4455 0.4455
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.031 0.0302 0.0378
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Entamoeba histolytica cysteine protease, putative 0.0514 0.2495 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0355 0.0794 0.0794
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Trypanosoma cruzi cysteine peptidase, putative 0.0514 0.2495 0.2495
Trypanosoma cruzi oligopeptidase b 0.031 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0697 0.4455 0.3976
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1215 1 1
Onchocerca volvulus 0.0514 0.2495 0.4111
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.031 0.0302 0.0302
Echinococcus granulosus cathepsin l cysteine peptidase 0.0514 0.2495 0.2495
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.031 0.0302 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0514 0.2495 1
Brugia malayi Cathepsin L-like precursor 0.0355 0.0794 0.0794
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Onchocerca volvulus 0.0514 0.2495 0.4111
Onchocerca volvulus 0.0514 0.2495 0.4111
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.031 0.0302 0.0678
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Toxoplasma gondii cathepsin CPL 0.0514 0.2495 0.5459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Brugia malayi prolyl oligopeptidase family protein 0.0742 0.4931 0.4931
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0355 0.0794 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Entamoeba histolytica cysteine proteinase, putative 0.0514 0.2495 1
Trypanosoma cruzi cysteine peptidase, putative 0.0514 0.2495 0.2495
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0294 0.0139 0.0139
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0355 0.0794 0.3182
Toxoplasma gondii cathepsin B 0.046 0.1918 0.4123
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Brugia malayi Cathepsin L-like precursor 0.0355 0.0794 0.0794
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Brugia malayi Papain family cysteine protease containing protein 0.0514 0.2495 0.2495
Plasmodium falciparum cysteine proteinase falcipain 3 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Onchocerca volvulus 0.0514 0.2495 0.4111
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0514 0.2495 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0514 0.2495 0.2495
Giardia lamblia Cathepsin B precursor 0.046 0.1918 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0294 0.0139 0.0139
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.046 0.1918 0.1918
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Schistosoma mansoni cathepsin F (C01 family) 0.0514 0.2495 0.2495
Onchocerca volvulus 0.0514 0.2495 0.4111
Entamoeba histolytica cysteine proteinase, putative 0.0355 0.0794 0.3182
Loa Loa (eye worm) cathepsin B 0.046 0.1918 0.1221
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1215 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0294 0.0139 0.0139
Brugia malayi Cathepsin L-like cysteine proteinase 0.0355 0.0794 0.0794
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.046 0.1918 0.7689
Echinococcus multilocularis cathepsin L cysteine protease 0.0514 0.2495 0.2495
Loa Loa (eye worm) ctsf protein 0.0514 0.2495 0.1847
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0514 0.2495 0.1847
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0514 0.2495 0.2495
Echinococcus multilocularis cysteine protease 0.0514 0.2495 0.2495
Toxoplasma gondii prolyl endopeptidase 0.0697 0.4455 1
Onchocerca volvulus Cathepsin L homolog 0.0514 0.2495 0.4111
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Onchocerca volvulus 0.0514 0.2495 0.4111
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.031 0.0302 0.0302
Brugia malayi prolyl oligopeptidase family protein 0.0697 0.4455 0.4455
Echinococcus multilocularis cysteine protease 0.0514 0.2495 0.2495
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0294 0.0139 0.0139
Echinococcus multilocularis cathepsin b 0.1215 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0697 0.4455 0.8848
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Echinococcus granulosus prolyl endopeptidase 0.0697 0.4455 0.4455
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.031 0.0302 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0294 0.0139 0.0311
Trypanosoma cruzi cruzipain precursor, putative 0.0514 0.2495 0.2495
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0697 0.4455 0.4455
Onchocerca volvulus Cathepsin L homolog 0.0514 0.2495 0.4111
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Schistosoma mansoni cathepsin F (C01 family) 0.0355 0.0794 0.0794
Brugia malayi cathepsin L-like precursor 0.0355 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.1215 1 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0576 0.3159 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0697 0.4455 0.4455
Echinococcus granulosus cathepsin L cysteine proteinase 0.0514 0.2495 0.2495
Trypanosoma cruzi prolyl endopeptidase 0.0697 0.4455 0.4455
Brugia malayi Cathepsin L-like precursor 0.0514 0.2495 0.2495
Brugia malayi Cathepsin L-like precursor 0.0514 0.2495 0.2495
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.046 0.1918 0.4123
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1215 1 1
Echinococcus granulosus cathepsin b 0.1215 1 1
Echinococcus granulosus cathepsin b 0.1215 1 1
Loa Loa (eye worm) hypothetical protein 0.0514 0.2495 0.1847
Schistosoma mansoni cathepsin F (C01 family) 0.0514 0.2495 0.2495
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0294 0.0139 0.0311
Echinococcus granulosus cathepsin l1 0.0355 0.0794 0.0794
Plasmodium vivax vivapain-2 0.0514 0.2495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1215 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0742 0.4931 0.4931
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1215 1 1
Onchocerca volvulus Cathepsin F homolog 0.0514 0.2495 0.4111
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0514 0.2495 0.56
Loa Loa (eye worm) fibroinase 0.0514 0.2495 0.1847
Echinococcus granulosus Dipeptidyl peptidase 9 0.0294 0.0139 0.0139
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0514 0.2495 0.1847
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0514 0.2495 1
Leishmania major cathepsin L-like protease 0.0514 0.2495 0.5459
Echinococcus multilocularis cathepsin b 0.1215 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0514 0.2495 0.2495
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0697 0.4455 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0514 0.2495 1
Echinococcus granulosus cathepsin l1 0.0514 0.2495 0.2495

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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