Detailed information for compound 621520

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.405 | Formula: C16H12F2N2O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1C(=O)N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C)F
  • InChi: 1S/C16H12F2N2O3S2/c1-20-12-7-6-9(25(2,22)23)8-13(12)24-16(20)19-15(21)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3/b19-16-
  • InChiKey: DGXGDSPMSUHVDV-MNDPQUGUSA-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
Onchocerca volvulus 0.0052 0.0854 0.4388
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0879 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.6724 0.7098
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.1898 0.1975
Brugia malayi TAR-binding protein 0.0336 0.9458 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0046 0.0685 0.0688
Schistosoma mansoni lamin 0.0086 0.1898 0.2007
Brugia malayi RNA binding protein 0.0336 0.9458 1
Schistosoma mansoni intermediate filament proteins 0.0086 0.1898 0.2007
Echinococcus multilocularis GPCR, family 2 0.0047 0.0696 0.0696
Brugia malayi intermediate filament protein 0.0086 0.1898 0.1975
Loa Loa (eye worm) hypothetical protein 0.004 0.0498 0.049
Onchocerca volvulus 0.0086 0.1898 1
Schistosoma mansoni tar DNA-binding protein 0.0336 0.9458 1
Schistosoma mansoni tar DNA-binding protein 0.0336 0.9458 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0037 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0037 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0879 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0086 0.1898 0.1975
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0037 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0037 0.5
Onchocerca volvulus 0.0086 0.1898 1
Loa Loa (eye worm) TAR-binding protein 0.0336 0.9458 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0037 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0378 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.0893
Echinococcus granulosus GPCR family 2 0.0047 0.0696 0.0696
Schistosoma mansoni hypothetical protein 0.0047 0.0696 0.0736
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0037 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0696 0.0736
Echinococcus granulosus lamin dm0 0.0086 0.1898 0.1898
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0378 0.0378
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0037 0.5
Echinococcus granulosus lamin 0.0086 0.1898 0.1898
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0696 0.0699
Echinococcus granulosus tar DNA binding protein 0.0336 0.9458 0.9458
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0147 0.3743 0.3933
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.3743 0.3933
Loa Loa (eye worm) hypothetical protein 0.004 0.0498 0.049
Entamoeba histolytica hypothetical protein 0.0036 0.0378 1
Schistosoma mansoni lamin 0.0086 0.1898 0.2007
Loa Loa (eye worm) hypothetical protein 0.0101 0.2333 0.2436
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0696 0.0696
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0037 0.5
Brugia malayi hypothetical protein 0.0034 0.0314 0.0294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.3743 0.3933
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0696 0.0699
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.6724 0.7098
Schistosoma mansoni tar DNA-binding protein 0.0336 0.9458 1
Echinococcus multilocularis lamin dm0 0.0086 0.1898 0.1898
Loa Loa (eye worm) hypothetical protein 0.0042 0.0546 0.054
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0037 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0696 0.0736
Leishmania major hypothetical protein, conserved 0.0053 0.0879 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0696 0.0696
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.2333 0.2436
Schistosoma mansoni tar DNA-binding protein 0.0336 0.9458 1
Echinococcus multilocularis musashi 0.0086 0.1898 0.1898
Schistosoma mansoni tar DNA-binding protein 0.0336 0.9458 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.3743 0.3933
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0879 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0042 0.0546 0.0546
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0879 0.5
Brugia malayi MH2 domain containing protein 0.0246 0.6724 0.7098
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.185 0.1924
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0037 0.5
Echinococcus multilocularis tar DNA binding protein 0.0336 0.9458 0.9458
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0042 0.0546 0.0546
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0879 0.5
Echinococcus multilocularis lamin 0.0086 0.1898 0.1898
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0336 0.9458 1
Echinococcus granulosus intermediate filament protein 0.0086 0.1898 0.1898
Loa Loa (eye worm) intermediate filament protein 0.0086 0.1898 0.1975
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0696 0.0696
Loa Loa (eye worm) hypothetical protein 0.0052 0.0854 0.0867
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0696 0.0699
Schistosoma mansoni hypothetical protein 0.0036 0.0378 0.04
Entamoeba histolytica hypothetical protein 0.0036 0.0378 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0037 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0086 0.1898 0.1975
Schistosoma mansoni hypothetical protein 0.0101 0.2333 0.2466
Echinococcus multilocularis tumor protein p63 0.0354 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0696 0.0696
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0854 0.0903
Loa Loa (eye worm) RNA binding protein 0.0336 0.9458 1
Schistosoma mansoni hypothetical protein 0.0047 0.0696 0.0736
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0378 0.04
Brugia malayi hypothetical protein 0.0036 0.0378 0.0362
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0696 0.0699
Entamoeba histolytica hypothetical protein 0.0036 0.0378 1
Brugia malayi hypothetical protein 0.0053 0.0879 0.0893
Brugia malayi cytoplasmic intermediate filament protein 0.0046 0.0685 0.0688
Brugia malayi RNA recognition motif domain containing protein 0.0336 0.9458 1

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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