Detailed information for compound 2078206

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.45 | Formula: C17H25F3N2O7S
  • H donors: 1 H acceptors: 4 LogP: -1.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Cc1ccc(o1)CN1CCOC2(C1)COCCN(C2)S(=O)(=O)C
  • InChi: 1S/C15H24N2O5S.C2HF3O2/c1-13-3-4-14(22-13)9-16-5-8-21-15(10-16)11-17(23(2,18)19)6-7-20-12-15;3-2(4,5)1(6)7/h3-4H,5-12H2,1-2H3;(H,6,7)
  • InChiKey: SGLGKAZWSGEDDO-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
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0389 0.0552
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6183 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0389 0.4358
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0313 0.0506
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.1538 1
Brugia malayi hypothetical protein 0.0023 0.009 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Echinococcus granulosus small conductance calcium activated potassium 0.0192 0.4008 0.4008
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0012 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0389 0.0552
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.009 0.0128
Entamoeba histolytica hypothetical protein 0.0023 0.009 0.0583
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.009 0.009
Brugia malayi Pre-SET motif family protein 0.0251 0.5378 0.8814
Schistosoma mansoni alpha-glucosidase 0.0127 0.25 0.3553
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Schistosoma mansoni kinase 0.0044 0.0562 0.0799
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0536 0.0867
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0877 0.5699
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.009 0.009
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0012 0.0012
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0877 0.104
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0313 0.0506
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Brugia malayi Thioredoxin reductase 0.0057 0.0877 0.1437
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.009 0.009
Brugia malayi hypothetical protein 0.0147 0.296 0.4851
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0389 0.0552
Loa Loa (eye worm) hypothetical protein 0.0383 0.8432 1
Trypanosoma brucei polo-like protein kinase 0.0086 0.1538 1
Brugia malayi PXA domain containing protein 0.0023 0.009 0.0147
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.009 0.0147
Trichomonas vaginalis maltase-glucoamylase, putative 0.0033 0.0313 0.0506
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.009 0.009
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.009 0.0145
Loa Loa (eye worm) glutathione reductase 0.0057 0.0877 0.104
Entamoeba histolytica hypothetical protein 0.0023 0.009 0.0583
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0389 0.0389
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.009 0.0147
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0012 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0012 0.0012
Brugia malayi PXA domain containing protein 0.0023 0.009 0.0147
Schistosoma mansoni alpha glucosidase 0.0033 0.0313 0.0445
Echinococcus multilocularis lysosomal alpha glucosidase 0.0148 0.2977 0.2977
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0012 0.0077
Echinococcus multilocularis neutral alpha glucosidase AB 0.0033 0.0313 0.0313
Schistosoma mansoni regulator of G protein signaling 0.0023 0.009 0.0128
Brugia malayi hypothetical protein 0.0023 0.009 0.0147
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0012 0.0077
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.1538 0.2521
Loa Loa (eye worm) hypothetical protein 0.0065 0.1068 0.1267
Treponema pallidum NADH oxidase 0.002 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Schistosoma mansoni calcium-activated potassium channel 0.0192 0.4008 0.5696
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.1538 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0033 0.0313 0.0506
Schistosoma mansoni calcium-activated potassium channel 0.0124 0.2428 0.345
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.1538 0.1538
Schistosoma mansoni hypothetical protein 0.0323 0.7037 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2572 0.8842
Echinococcus multilocularis small conductance calcium activated potassium 0.0192 0.4008 0.4008
Echinococcus granulosus axis inhibition protein axin 0.0023 0.009 0.009
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0877 1
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.009 0.009
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.009 0.0147
Trichomonas vaginalis sucrase-isomaltase, putative 0.0033 0.0313 0.0506
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2572 0.8842
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.0096 0.0158
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0012 1
Echinococcus granulosus geminin 0.0323 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0036 0.0389 0.0461
Echinococcus granulosus neutral alpha glucosidase AB 0.0033 0.0313 0.0313
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0012 0.0019
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0096 0.0137
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.009 0.009
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0033 0.0313 0.0506
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0033 0.0313 0.3482
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0012 0.0077
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2572 0.8842
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Schistosoma mansoni regulator of G protein signaling 0.0023 0.009 0.0128
Trypanosoma brucei trypanothione reductase 0.0057 0.0877 0.5699
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0313 0.2034
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0358 0.0358
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0096 0.0137
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.009 0.009
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.009 0.009
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0033 0.0313 0.2034
Leishmania major trypanothione reductase 0.0057 0.0877 0.5699
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0877 0.0877
Giardia lamblia Kinase, PLK 0.0086 0.1538 1
Onchocerca volvulus 0.0085 0.1533 0.1976
Schistosoma mansoni axis inhibition protein axin 0.0023 0.009 0.0128
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5378 0.6378
Mycobacterium tuberculosis Probable reductase 0.013 0.2572 0.8842
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2909 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.009 0.0106
Leishmania major alpha glucosidase II subunit, putative 0.0033 0.0313 0.2034
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Schistosoma mansoni alpha-glucosidase 0.0127 0.25 0.3553
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0012 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.009 0.009
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.009 0.0147
Loa Loa (eye worm) RGS-3 protein 0.0023 0.009 0.0106
Loa Loa (eye worm) hypothetical protein 0.0062 0.0986 0.117
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.009 0.0128
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0012 0.0077
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0012 0.0077
Brugia malayi follicle stimulating hormone receptor 0.0283 0.6102 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.009 0.009
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.009 0.009
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0536 0.0867
Echinococcus multilocularis expressed protein 0.0451 1 1
Echinococcus granulosus axis inhibition protein axin 0.0023 0.009 0.009
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.1538 0.1824
Echinococcus multilocularis geminin 0.0323 0.7037 0.7037
Schistosoma mansoni hypothetical protein 0.0323 0.7037 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.1538 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0389 0.0637
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0012 0.0017
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.009 0.0128
Onchocerca volvulus 0.0286 0.6183 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2572 0.8842
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.0096 0.0114
Brugia malayi Glycosyl hydrolases family 31 protein 0.0148 0.2977 0.4879
Trypanosoma brucei glucosidase, putative 0.0033 0.0313 0.2034
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0059 0.0913 0.1083
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0313 0.0506
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2909 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0012 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0096 0.0137
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.0096 0.0096
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0012 0.0019
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0012 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0313 0.2034
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0012 0.0019
Echinococcus multilocularis lysosomal alpha glucosidase 0.0148 0.2977 0.2977
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0313 0.0506
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0877 0.0877
Plasmodium falciparum thioredoxin reductase 0.0057 0.0877 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2909 1
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.009 0.009
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.1538 0.1538
Plasmodium vivax glutathione reductase, putative 0.0057 0.0877 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2909 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0877 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.0096 0.0114
Echinococcus granulosus lysosomal alpha glucosidase 0.0148 0.2977 0.2977
Brugia malayi glutathione reductase 0.0057 0.0877 0.1437
Entamoeba histolytica hypothetical protein 0.0023 0.009 0.0583
Schistosoma mansoni axis inhibition protein axin 0.0023 0.009 0.0128
Schistosoma mansoni regulator of G protein signaling 0.0023 0.009 0.0128
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0033 0.0313 0.0371
Plasmodium falciparum glutathione reductase 0.0057 0.0877 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0012 0.0041
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0389 0.0389
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.009 0.0147
Schistosoma mansoni hypothetical protein 0.0192 0.4008 0.5696
Schistosoma mansoni regulator of G protein signaling 0.0023 0.009 0.0128
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0012 0.0077
Loa Loa (eye worm) hypothetical protein 0.0023 0.009 0.0106
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0012 0.0077
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.009 0.0128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.009 0.009
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0877 0.3014
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0012 0.0077
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0012 0.0077
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0389 0.4358
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.009 0.0106
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1538 0.2488
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0033 0.0313 0.2034
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0148 0.2977 0.353
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.009 0.009
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.1538 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0389 0.0552
Loa Loa (eye worm) hypothetical protein 0.0192 0.4008 0.4754
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.6102 0.7237
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.1538 0.1984
Schistosoma mansoni regulator of G protein signaling 0.0023 0.009 0.0128
Brugia malayi Glycosyl hydrolases family 31 protein 0.0033 0.0313 0.0513
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.0096 0.0096
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2572 0.8842
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0313 0.0506
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0012 0.0077
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0012 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.1538 0.2186
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0145
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0389 0.0389

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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