Detailed information for compound 1082198

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 570.612 | Formula: C26H23FN4O6S2
  • H donors: 3 H acceptors: 6 LogP: 2.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)CN1C(=O)C(=C(C[C@@H]1c1ccccc1)O)C1=NS(=O)(=O)c2c(N1)ccc(c2)NS(=O)(=O)C
  • InChi: 1S/C26H23FN4O6S2/c1-38(34,35)29-19-11-12-20-23(13-19)39(36,37)30-25(28-20)24-22(32)14-21(17-5-3-2-4-6-17)31(26(24)33)15-16-7-9-18(27)10-8-16/h2-13,21,29,32H,14-15H2,1H3,(H,28,30)/t21-/m1/s1
  • InChiKey: UNYFDZIVRUSSDO-OAQYLSRUSA-N  

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
Leishmania major cytochrome p450-like protein 0.0028 0.0889 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0422 0.014
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0422 0.0268
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0119 0.6771 0.6676
Echinococcus granulosus lamin dm0 0.0027 0.0808 0.0537
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0889 0.0983
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.4205 0.4112
Loa Loa (eye worm) hypothetical protein 0.0026 0.0776 0.0858
Brugia malayi nuclear receptor NHR-88 0.0021 0.0422 0.0467
Schistosoma mansoni hypothetical protein 0.0031 0.1104 0.0961
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0422 0.0467
Schistosoma mansoni lamin 0.0027 0.0808 0.066
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0422 0.0467
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0422 0.014
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.8763 0.8727
Brugia malayi hypothetical protein 0.0016 0.0118 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0422 0.0467
Brugia malayi Cytochrome P450 family protein 0.0028 0.0889 0.0983
Echinococcus granulosus muscleblind protein 0.0148 0.8712 0.8674
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0422 0.014
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0286 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1104 0.0842
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0286 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.9043 0.9028
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0808 0.0893
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0422 0.0268
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0422 0.0268
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1104 0.0842
Leishmania major hypothetical protein, conserved 0.0025 0.0694 0.6773
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3469 0.3364
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3469 0.3364
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0422 0.0467
Brugia malayi Muscleblind-like protein 0.0148 0.8712 0.9634
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0286 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0422 0.0467
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0286 0.5
Schistosoma mansoni hypothetical protein 0.0168 1 1
Echinococcus multilocularis geminin 0.0168 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0889 1
Schistosoma mansoni hypothetical protein 0.0031 0.1104 0.0961
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0694 0.6773
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1568 0.1432
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0286 0.5
Toxoplasma gondii melibiase subfamily protein 0.0119 0.6771 1
Brugia malayi steroid hormone receptor 0.0021 0.0422 0.0467
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3469 0.3364
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.2001 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.3467 0.3833
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0422 0.0268
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0119 0.6771 0.6719
Brugia malayi Melibiase family protein 0.0079 0.4205 0.465
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0422 0.014
Schistosoma mansoni hypothetical protein 0.0031 0.1104 0.0961
Loa Loa (eye worm) hypothetical protein 0.0027 0.0808 0.0893
Brugia malayi hypothetical protein 0.0025 0.0694 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0422 0.0467
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0286 0.5
Brugia malayi MH2 domain containing protein 0.0119 0.677 0.7486
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0422 0.0467
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0422 0.014
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0422 0.014
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1104 0.1221
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0694 0.6773
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0422 0.0268
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1104 0.0842
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0422 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Echinococcus granulosus lamin 0.0027 0.0808 0.0537
Brugia malayi hypothetical protein 0.0038 0.1568 0.1733
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0422 0.0467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0422 0.0467
Onchocerca volvulus 0.0027 0.0808 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0286 0.5
Brugia malayi TAR-binding protein 0.0068 0.3469 0.3836
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0694 0.6773
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0422 0.0467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0422 0.0467
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0286 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Schistosoma mansoni coup transcription factor 0.0021 0.0422 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0422 0.0467
Schistosoma mansoni hypothetical protein 0.0038 0.1568 0.1432
Loa Loa (eye worm) hypothetical protein 0.0148 0.8712 0.9634
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0422 0.014
Loa Loa (eye worm) hypothetical protein 0.0099 0.5503 0.6085
Echinococcus multilocularis musashi 0.0027 0.0808 0.0537
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.2912 0.322
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0422 0.0268
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0422 0.014
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.2001 0.2787
Loa Loa (eye worm) hypothetical protein 0.0025 0.0694 0.0768
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.5503 0.6085
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0286 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0422 0.0467
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0889 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0422 0.014
Brugia malayi Cytochrome P450 family protein 0.0028 0.0889 0.0983
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0694 0.081
Echinococcus granulosus GPCR family 2 0.0031 0.1104 0.0842
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0422 0.0268
Loa Loa (eye worm) RNA binding protein 0.0068 0.3469 0.3836
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0422 0.014
Onchocerca volvulus 0.0027 0.0808 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3469 0.3836
Echinococcus multilocularis GPCR, family 2 0.0031 0.1104 0.0842
Schistosoma mansoni intermediate filament proteins 0.0027 0.0808 0.066
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.1104 0.0961
Brugia malayi nuclear hormone receptor 0.0021 0.0422 0.0467
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0422 0.014
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0422 0.0467
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0889 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.9043 0.9015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.5503 0.6085
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0286 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0422 0.0467
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.4205 0.4112
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0808 0.0893
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0422 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Brugia malayi RNA binding protein 0.0068 0.3469 0.3836
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0422 0.014
Schistosoma mansoni hypothetical protein 0.0019 0.0286 0.0129
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3467 0.3833
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1104 0.0842
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0422 0.0467
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0286 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0422 0.014
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0119 0.6771 0.6719
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0286 0.5
Schistosoma mansoni cytochrome P450 0.0019 0.0286 0.0129
Loa Loa (eye worm) hypothetical protein 0.0079 0.4205 0.465
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1104 0.1221
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0286 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0422 0.0467
Toxoplasma gondii cytochrome p450 superfamily protein 0.0019 0.0286 0.0193
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0889 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1104 0.1221
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0889 0.0983
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0286 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1568 0.132
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0286 0.5
Brugia malayi cytochrome P450 0.0019 0.0286 0.0316
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0286 0.5
Schistosoma mansoni lamin 0.0027 0.0808 0.066
Echinococcus multilocularis muscleblind protein 1 0.0148 0.8712 0.8674
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0119 0.6771 0.6719
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3469 0.3277
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0422 0.0467
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0422 0.0467
Loa Loa (eye worm) cytochrome P450 0.0019 0.0286 0.0316
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Brugia malayi ecdysteroid receptor 0.0021 0.0422 0.0467
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0422 0.0268
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0119 0.6771 0.6676
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.1757 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0422 0.0467
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3469 0.3836
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0422 0.0467
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0119 0.6771 0.6676
Echinococcus granulosus intermediate filament protein 0.0027 0.0808 0.0537
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3469 0.3836
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0422 0.014
Brugia malayi intermediate filament protein 0.0027 0.0808 0.0893
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.9043 1
Echinococcus multilocularis lamin 0.0027 0.0808 0.0537
Echinococcus granulosus tar DNA binding protein 0.0068 0.3469 0.3277
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0286 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.3467 0.3361
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0808 0.0893
Mycobacterium leprae Conserved hypothetical protein 0.0019 0.0286 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0422 0.0467
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1568 0.132
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0422 0.0467
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.677 0.7486
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.677 0.7486
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.5503 0.6085
Loa Loa (eye worm) hypothetical protein 0.0021 0.0422 0.0467
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0119 0.6771 0.6719
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0286 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.8712 0.9634
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0422 0.0268
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1104 0.1221
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0079 0.4205 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0286 0.0316
Loa Loa (eye worm) acetyltransferase 0.0154 0.9043 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3469 0.3364
Echinococcus multilocularis lamin dm0 0.0027 0.0808 0.0537
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.2001 0.1766
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0422 0.0467
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0286 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0889 0.0983
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.1757 1
Echinococcus multilocularis muscleblind protein 0.0148 0.8712 0.8674
Brugia malayi Cytochrome P450 family protein 0.0059 0.2912 0.322
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3469 0.3364
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.1757 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0422 0.0268
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0286 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0422 0.014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0422 0.014
Mycobacterium leprae putative cytochrome p450 0.0019 0.0286 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.2001 0.2787
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0422 0.0268
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0422 0.0268

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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