Detailed information for compound 889586

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.383 | Formula: C18H14F3N3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1csc(n1)c1ccc(cc1)OC(F)(F)F)Cc1cccnc1
  • InChi: 1S/C18H14F3N3O2S/c1-24(10-12-3-2-8-22-9-12)17(25)15-11-27-16(23-15)13-4-6-14(7-5-13)26-18(19,20)21/h2-9,11H,10H2,1H3
  • InChiKey: CEWJFPILONXREB-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 granulosus follistatin 0.0039 0.0094 0.0106
Mycobacterium tuberculosis Probable esterase LipL 0.018 0.1355 0.1067
Brugia malayi beta-lactamase family protein 0.018 0.1355 0.1377
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0134 0.0942 0.064
Trypanosoma cruzi hypothetical protein, conserved 0.018 0.1355 1
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0254 0.171
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0379 0.0403
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0094 0.0218
Echinococcus granulosus lamin 0.0081 0.0468 0.1509
Onchocerca volvulus 0.0081 0.0468 0.332
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0094 0.003
Schistosoma mansoni hypothetical protein 0.0335 0.2727 0.2844
Mycobacterium ulcerans hypothetical protein 0.018 0.1355 0.1134
Echinococcus granulosus beta LACTamase domain containing family member 0.018 0.1355 0.4842
Echinococcus granulosus geminin 0.0335 0.2727 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0043 0.0135 0.0115
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Trichomonas vaginalis glutaminase, putative 0.1088 0.9423 1
Loa Loa (eye worm) glutaminase 0.1088 0.9423 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.018 0.1355 0.1413
Onchocerca volvulus 0.0081 0.0468 0.332
Schistosoma mansoni agrin 0.0039 0.0094 0.003
Echinococcus granulosus snurportin 1 0.0299 0.2406 0.8791
Loa Loa (eye worm) intermediate filament protein 0.0081 0.0468 0.0469
Mycobacterium tuberculosis Probable hydrolase 0.018 0.1355 0.1067
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0317 0.0942
Mycobacterium tuberculosis Probable lipase LipD 0.018 0.1355 0.1067
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0094 0.0218
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0057 0.0254 0.0706
Toxoplasma gondii ABC1 family protein 0.018 0.1355 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0039 0.0096 0.0114
Loa Loa (eye worm) hypothetical protein 0.0037 0.0083 0.006
Loa Loa (eye worm) RNA binding protein 0.0064 0.0317 0.0309
Onchocerca volvulus 0.0057 0.0254 0.171
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0131 0.0246
Loa Loa (eye worm) glutaminase 2 0.1088 0.9423 1
Trichomonas vaginalis penicillin-binding protein, putative 0.018 0.1355 0.1438
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0103 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0066 0.007
Loa Loa (eye worm) beta-lactamase 0.018 0.1355 0.1413
Echinococcus multilocularis agrin 0.0039 0.0094 0.0106
Brugia malayi RNA binding protein 0.0064 0.0317 0.0268
Mycobacterium tuberculosis Probable conserved lipoprotein 0.018 0.1355 0.1067
Mycobacterium ulcerans beta-lactamase 0.018 0.1355 0.1134
Echinococcus multilocularis snurportin 1 0.0299 0.2406 0.8791
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.1046 0.1048
Brugia malayi SPARC precursor 0.0039 0.0094 0.003
Brugia malayi hypothetical protein 0.0057 0.0254 0.0201
Trypanosoma brucei beta lactamase 0.0064 0.0322 0.1989
Brugia malayi chromobox protein homolog 3 0.004 0.0103 0.0039
Trypanosoma cruzi MFS transporter, putative 0.0057 0.0254 0.1458
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.018 0.1355 0.1067
Schistosoma mansoni hypothetical protein 0.0052 0.0213 0.0157
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0379 0.0375
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.2406 0.2532
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0094 0.003
Brugia malayi hypothetical protein 0.0057 0.0254 0.0201
Brugia malayi Heterochromatin protein 1 0.0071 0.0379 0.0335
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0196 0.1494 0.1288
Schistosoma mansoni chromobox protein 0.0071 0.0379 0.0335
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Brugia malayi glutaminase DH11.1 0.1088 0.9423 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.018 0.1355 0.1377
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0317 0.0268
Echinococcus granulosus agrin 0.0039 0.0094 0.0106
Onchocerca volvulus 0.018 0.1355 1
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0254 0.171
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0131 0.014
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.018 0.1355 0.1067
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0317 0.0268
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.018 0.1355 0.1377
Schistosoma mansoni intermediate filament proteins 0.0081 0.0468 0.0429
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0094 0.003
Loa Loa (eye worm) hypothetical protein 0.0037 0.0083 0.006
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.101 0.3547
Mycobacterium tuberculosis Conserved protein 0.018 0.1355 0.1067
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.01 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0094 0.0218
Echinococcus multilocularis chromobox protein 1 0.0071 0.0379 0.1178
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.1046 0.1048
Schistosoma mansoni organic anion transporter 0.0057 0.0254 0.0201
Echinococcus multilocularis musashi 0.0081 0.0468 0.1509
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Echinococcus multilocularis lamin 0.0081 0.0468 0.1509
Schistosoma mansoni lamin 0.0081 0.0468 0.0429
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0057 0.0254 0.0242
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0131 0.0508
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0317 0.0268
Echinococcus granulosus Solute carrier organic anion transporter family 0.0057 0.0254 0.0706
Schistosoma mansoni chromobox protein 0.0071 0.0379 0.0335
Echinococcus granulosus tar DNA binding protein 0.0064 0.0317 0.0942
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Echinococcus multilocularis lamin dm0 0.0081 0.0468 0.1509
Brugia malayi RNA, U transporter 1 0.008 0.0458 0.0418
Trypanosoma brucei hypothetical protein, conserved 0.018 0.1355 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0103 0.0109
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0131 0.014
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0094 0.0072
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.01 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1355 0.1438
Loa Loa (eye worm) hypothetical protein 0.0039 0.0094 0.0072
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Mycobacterium ulcerans glutaminase 0.1088 0.9423 1
Echinococcus multilocularis chromobox protein 1 0.0071 0.0379 0.1178
Trichomonas vaginalis chromobox protein, putative 0.0043 0.013 0.0138
Brugia malayi beta-lactamase family protein 0.018 0.1355 0.1377
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0317 0.0309
Onchocerca volvulus 0.0057 0.0254 0.171
Mycobacterium leprae Probable lipase LipE 0.018 0.1355 1
Mycobacterium ulcerans lipase LipD 0.018 0.1355 0.1134
Brugia malayi TAR-binding protein 0.0064 0.0317 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0317 0.0268
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0254 0.0201
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0103 0.0574
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0317 0.0268
Brugia malayi beta-lactamase 0.018 0.1355 0.1377
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0094 0.003
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Schistosoma mansoni follistatin 0.0039 0.0094 0.003
Brugia malayi secreted modular calcium-binding protein 1 0.0039 0.0094 0.003
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0317 0.0268
Loa Loa (eye worm) agrin synaptic family protein 0.0039 0.0094 0.0072
Echinococcus multilocularis geminin 0.0335 0.2727 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0131 0.0508
Schistosoma mansoni lamin 0.0081 0.0468 0.0429
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1355 0.1438
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.013 0.0776
Onchocerca volvulus 0.018 0.1355 1
Toxoplasma gondii protease inhibitor PI2 0.0039 0.0094 0.0218
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Loa Loa (eye worm) hypothetical protein 0.0081 0.0468 0.0469
Echinococcus granulosus chromobox protein 1 0.0071 0.0379 0.1178
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.018 0.1355 0.1134
Echinococcus multilocularis follistatin 0.0039 0.0094 0.0106
Mycobacterium ulcerans esterase/lipase LipP 0.018 0.1355 0.1134
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0379 0.0403
Echinococcus multilocularis beta LACTamase domain containing family member 0.018 0.1355 0.4842
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0057 0.0254 0.0706
Onchocerca volvulus 0.018 0.1355 1
Echinococcus granulosus intermediate filament protein 0.0081 0.0468 0.1509
Leishmania major hypothetical protein, conserved 0.018 0.1355 1
Mycobacterium tuberculosis Conserved protein 0.018 0.1355 0.1067
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0254 0.171
Loa Loa (eye worm) hypothetical protein 0.0039 0.0094 0.0072
Brugia malayi cytoplasmic intermediate filament protein 0.0043 0.0135 0.0073
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Onchocerca volvulus 0.0057 0.0254 0.171
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.018 0.1355 0.1377
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0254 0.0201
Plasmodium vivax hypothetical protein, conserved 0.018 0.1355 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0131 0.0508
Trichomonas vaginalis chromobox protein, putative 0.0043 0.013 0.0138
Trichomonas vaginalis penicillin-binding protein, putative 0.018 0.1355 0.1438
Brugia malayi Intermediate filament tail domain containing protein 0.0081 0.0468 0.0429
Schistosoma mansoni hypothetical protein 0.0299 0.2406 0.25
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0317 0.0309
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0066 0.0042
Mycobacterium leprae conserved hypothetical protein 0.018 0.1355 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0094 0.0072
Loa Loa (eye worm) hypothetical protein 0.0057 0.0254 0.0242
Echinococcus granulosus chromobox protein 1 0.0071 0.0379 0.1178
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0074
Schistosoma mansoni glutaminase 0.1088 0.9423 1
Brugia malayi prostaglandin transporter 0.0057 0.0254 0.0201
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.1046 0.3684
Loa Loa (eye worm) hypothetical protein 0.018 0.1355 0.1413
Echinococcus multilocularis expressed protein 0.0039 0.0094 0.0106
Trichomonas vaginalis esterase, putative 0.018 0.1355 0.1438
Toxoplasma gondii transporter, major facilitator family protein 0.0057 0.0254 0.1458
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0066 0.007
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0057 0.0254 0.0706
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0779 0.6674 0.698
Schistosoma mansoni organic anion transporter 0.0057 0.0254 0.0201
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0094 0.0218
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.01 1
Schistosoma mansoni hypothetical protein 0.0335 0.2727 0.2844
Onchocerca volvulus 0.0039 0.0094 0.0507
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0134 0.0942 0.0681
Mycobacterium tuberculosis Probable lipase LipE 0.018 0.1355 0.1067
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1355 0.1438
Echinococcus granulosus lamin dm0 0.0081 0.0468 0.1509
Trypanosoma cruzi hypothetical protein, conserved 0.018 0.1355 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0081 0.0468 0.0469
Loa Loa (eye worm) hypothetical protein 0.0039 0.0094 0.0072
Onchocerca volvulus 0.0057 0.0254 0.171
Mycobacterium tuberculosis Conserved protein 0.018 0.1355 0.1067
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0254 0.0201
Onchocerca volvulus 0.0057 0.0254 0.171
Loa Loa (eye worm) hypothetical protein 0.0079 0.0454 0.0455
Loa Loa (eye worm) hypothetical protein 0.004 0.0103 0.0081
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0066 0.007
Loa Loa (eye worm) acetyltransferase 0.0146 0.1046 0.1085
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0039 0.0096 0.0114
Brugia malayi intermediate filament protein 0.0081 0.0468 0.0429

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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