Detailed information for compound 1806313

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: Fc1ccc2c(c1)nc(s2)SCc1ccc(c(c1)F)F
  • InChi: 1S/C14H8F3NS2/c15-9-2-4-13-12(6-9)18-14(20-13)19-7-8-1-3-10(16)11(17)5-8/h1-6H,7H2
  • InChiKey: IBKTYYPMULVZSP-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
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0382 0.8588
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0382 0.0435
Schistosoma mansoni fad oxidoreductase 0.0041 0.0382 0.0382
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0037 0.0006
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0382 0.0435
Plasmodium falciparum importin beta, putative 0.0025 0.0114 0.2981
Brugia malayi MAP kinase sur-1 0.0044 0.0445 0.2098
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0445 0.0445
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0021 0.0037 0.0006
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0041 0.0382 0.0382
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0032 0.0223 0.0277
Loa Loa (eye worm) hypothetical protein 0.0489 0.8069 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0142 0.2119 0.2625
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0044 0.0445 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0032 0.0223 0.5022
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0382 0.8588
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0041 0.0382 0.8588
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0489 0.8069 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0032 0.0223 0.5022
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0041 0.0382 0.8588
Schistosoma mansoni importin beta-1 0.0025 0.0114 0.0114
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0041 0.0382 0.8588
Entamoeba histolytica acyl-CoA synthetase, putative 0.0021 0.0037 0.0974
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0032 0.0223 0.5022
Onchocerca volvulus Putative fad oxidoreductase 0.0041 0.0382 0.3268
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0382 0.8588
Onchocerca volvulus 0.0072 0.0926 0.8428
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0046
Echinococcus granulosus importin subunit beta 1 0.0025 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0046
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0044 0.0445 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0032 0.0726
Toxoplasma gondii hypothetical protein 0.0041 0.0382 0.8588
Entamoeba histolytica hypothetical protein 0.002 0.0032 0.0846
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0037 0.0175
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0114 0.256
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0037 0.0006
Echinococcus granulosus mitogen activated protein kinase 0.0044 0.0445 0.0445
Leishmania major importin beta-1 subunit, putative 0.002 0.0032 0.0726
Echinococcus multilocularis neutral alpha glucosidase AB 0.0032 0.0223 0.0223
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0037 0.0836
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0041 0.0382 0.3268
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0382 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0382 0.8588
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0445 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0072 0.0926 0.437
Echinococcus granulosus mitogen activated protein kinase 3 0.0044 0.0445 0.0445
Trichomonas vaginalis alpha-glucosidase, putative 0.0032 0.0223 0.5022
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0037 0.0836
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0041 0.0382 0.8588
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.0382 0.0476
Brugia malayi cDNA sequence BC016226 0.0041 0.0382 0.1802
Loa Loa (eye worm) hypothetical protein 0.0025 0.0114 0.0141
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.002 0.0032 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0032 0.0223 0.0223
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0044 0.0445 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0041 0.0382 1
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0041 0.0382 0.0382
Echinococcus multilocularis mitogen activated protein kinase 3 0.0044 0.0445 0.0445
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0032 0.0223 0.5847
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0032 0.0727
Trichomonas vaginalis sucrase-isomaltase, putative 0.0032 0.0223 0.5022
Entamoeba histolytica acyl-coA synthetase, putative 0.0021 0.0037 0.0974
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0041 0.0382 0.0382
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0032 0.0726
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0037 0.0006
Brugia malayi Glycosyl hydrolases family 31 protein 0.0142 0.2119 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0041 0.0382 0.0382
Entamoeba histolytica acyl-CoA synthetase, putative 0.0021 0.0037 0.0974
Leishmania major hypothetical protein, conserved 0.0041 0.0382 0.8588
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0044 0.0445 0.0551
Onchocerca volvulus 0.0082 0.1092 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0032 0.0223 0.5022
Echinococcus multilocularis lysosomal alpha glucosidase 0.0142 0.2119 0.2119
Giardia lamblia Kinase, CMGC MAPK 0.0044 0.0445 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0072 0.0926 0.0926
Schistosoma mansoni microtubule-associated protein tau 0.0602 1 1
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0037 0.0175
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0041 0.0382 0.0435
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0041 0.0382 0.1802
Echinococcus granulosus lysosomal alpha glucosidase 0.0142 0.2119 0.2119
Trichomonas vaginalis alpha-glucosidase, putative 0.0032 0.0223 0.5022
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0021 0.0037 0.0007
Trichomonas vaginalis alpha-glucosidase, putative 0.0032 0.0223 0.5022
Echinococcus multilocularis L aminoadipate semialdehyde 0.0072 0.0926 0.0926
Chlamydia trachomatis D-amino acid dehydrogenase 0.0041 0.0382 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0445 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0044 0.0445 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.002 0.0032 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0032 0.0223 0.5022
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0382 0.8588
Entamoeba histolytica hypothetical protein 0.002 0.0032 0.0847
Schistosoma mansoni d-amino acid oxidase 0.0489 0.8069 0.8069
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0044 0.0445 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0021 0.0037 0.0006
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0021 0.0037 0.0006
Brugia malayi RE18450p 0.0041 0.0382 0.1802
Loa Loa (eye worm) hypothetical protein 0.0041 0.0382 0.0473
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0041 0.0382 0.0435
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0041 0.0382 0.8588
Brugia malayi RNA, U transporter 1 0.0072 0.0909 0.4289
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0041 0.0382 0.8588
Trichomonas vaginalis importin beta-1, putative 0.002 0.0032 0.0726
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0032 0.0223 0.5022
Plasmodium vivax importin-beta 2, putative 0.0025 0.0114 0.2981
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0445 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.0382 1
Trypanosoma brucei glucosidase, putative 0.0032 0.0223 0.5022
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0037 0.0006
Schistosoma mansoni NAD dehydrogenase 0.0041 0.0382 0.0382
Echinococcus granulosus L aminoadipate semialdehyde 0.0072 0.0926 0.0926
Trypanosoma brucei protein kinase, putative 0.0044 0.0445 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0041 0.0382 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0445 1
Leishmania major phosphopantetheinyl transferase-like protein 0.002 0.0032 0.0727
Echinococcus multilocularis microtubule associated protein 2 0.0602 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.0037 0.0006
Toxoplasma gondii HEAT repeat-containing protein 0.0025 0.0114 0.256
Schistosoma mansoni hypothetical protein 0.0268 0.4285 0.4285
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0114 0.256
Echinococcus multilocularis importin subunit beta 1 0.0025 0.0114 0.0114
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.0382 0.8588
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0037 0.0007
Mycobacterium ulcerans hypothetical protein 0.0021 0.0037 0.0006
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.002 0.0032 0.0847
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0041 0.0382 0.0473
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0489 0.8069 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0926 0.1147
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.002 0.0032 0.0727
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0037 0.0175
Loa Loa (eye worm) hypothetical protein 0.0041 0.0382 0.0473
Echinococcus multilocularis lysosomal alpha glucosidase 0.0142 0.2119 0.2119
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0044 0.0445 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0445 1
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0041 0.0382 0.0435
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0041 0.0382 0.0382
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0041 0.0382 0.8588
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.002 0.0032 0.0847
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0448 0.737 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0268 0.4285 0.531
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.002 0.0032 0.0727
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0046
Loa Loa (eye worm) hypothetical protein 0.0041 0.0382 0.0473
Brugia malayi Importin beta-1 subunit 0.0025 0.0114 0.0537
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0032 0.0726
Echinococcus multilocularis snurportin 1 0.0268 0.4285 0.4285
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0041 0.0382 0.0382
Leishmania major alpha glucosidase II subunit, putative 0.0032 0.0223 0.5022
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0021 0.0037 0.0006
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.0382 0.8588
Leishmania major hypothetical protein, conserved 0.0041 0.0382 0.8588
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0032 0.0223 0.5847
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0041 0.0382 0.0435
Schistosoma mansoni alpha glucosidase 0.0032 0.0223 0.0223
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0223 0.5022
Schistosoma mansoni fad oxidoreductase 0.0041 0.0382 0.0382
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0041 0.0382 0.3268
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0037 0.0836
Echinococcus granulosus snurportin 1 0.0268 0.4285 0.4285
Echinococcus multilocularis mitogen activated protein kinase 0.0044 0.0445 0.0445
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0041 0.0382 0.1802
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0223 0.5022
Schistosoma mansoni alpha-glucosidase 0.0122 0.1779 0.1779
Schistosoma mansoni alpha-glucosidase 0.0122 0.1779 0.1779
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0041 0.0382 0.8588
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0445 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0032 0.0223 0.1054

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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