Detailed information for compound 1119616

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.168 | Formula: C6H6F9NO2S
  • H donors: 1 H acceptors: 2 LogP: 2.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)N)F
  • InChi: 1S/C6H6F9NO2S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)
  • InChiKey: KKHMBQUHTGIUDQ-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
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.1144 0.1224
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.1525 1
Echinococcus multilocularis zinc finger protein 0.0019 0.1439 0.0517
Schistosoma mansoni hypothetical protein 0.0018 0.1183 0.1376
Schistosoma mansoni bromodomain containing protein 0.0062 0.819 0.9533
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1049 0.1221
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.7637 0.8734
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.1897 0.1124
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.1366 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.1183 0.1376
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1525 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.4342 0.4649
Loa Loa (eye worm) hypothetical protein 0.004 0.4707 0.504
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.4395 0.3643
Echinococcus granulosus tar DNA binding protein 0.0065 0.8591 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.7163 0.6782
Loa Loa (eye worm) hypothetical protein 0.001 0.0000000012826 0.0000000013733
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1366 0.8958
Loa Loa (eye worm) TAR-binding protein 0.0065 0.8591 0.9199
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8591 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1525 0.0389
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8591 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.1602 0.1715
Loa Loa (eye worm) RecQ helicase 0.002 0.1525 0.1633
Loa Loa (eye worm) hypothetical protein 0.0018 0.1183 0.1266
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.1183 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8591 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1366 0.0208
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1525 1
Schistosoma mansoni DNA helicase recq1 0.002 0.1525 0.1775
Loa Loa (eye worm) hypothetical protein 0.0042 0.5002 0.5356
Echinococcus multilocularis GPCR, family 2 0.0018 0.1183 0.0177
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.7637 0.8734
Echinococcus multilocularis tar DNA binding protein 0.0065 0.8591 1
Schistosoma mansoni zinc finger protein 0.0019 0.1439 0.1674
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.1183 0.1266
Schistosoma mansoni hypothetical protein 0.0015 0.0778 0.0905
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1525 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.1525 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.1525 0.0631
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1366 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.1366 0.159
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8591 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.8591 0.8402
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1366 1
Brugia malayi RNA binding protein 0.0065 0.8591 0.8402
Schistosoma mansoni DNA helicase recq5 0.002 0.1525 0.1775
Loa Loa (eye worm) hypothetical protein 0.0056 0.7163 0.7669
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.1525 0.0631
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.1897 0.2208
Loa Loa (eye worm) RNA binding protein 0.0065 0.8591 0.9199
Loa Loa (eye worm) hypothetical protein 0.0038 0.4395 0.4706
Schistosoma mansoni hypothetical protein 0.0038 0.4395 0.5115
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1366 0.7874
Entamoeba histolytica recQ family helicase, putative 0.002 0.1525 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1366 0.0421
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.1366 0.7874
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1525 0.0389
Schistosoma mansoni hypothetical protein 0.002 0.1602 0.1865
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.1525 0.0631
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.3965 0.3866
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.3965 0.3866
Schistosoma mansoni hypothetical protein 0.0018 0.1183 0.1376
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8591 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.1525 0.0631
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.1525 1
Toxoplasma gondii exonuclease III APE 0.0019 0.1366 0.8958
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.1366 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1366 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.1525 0.0631
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1366 0.8958
Echinococcus granulosus GPCR family 2 0.0018 0.1183 0.0177
Loa Loa (eye worm) hypothetical protein 0.0017 0.1049 0.1123
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1366 0.8958
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.1183 0.0177
Echinococcus granulosus bloom syndrome protein 0.002 0.1525 0.0631
Brugia malayi Bromodomain containing protein 0.0038 0.4331 0.3571
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1366 0.0421
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1049 0.1221
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.1049 0.1221
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.1897 0.1124
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.1183 0.0177
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.8591 0.9199
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.1525 1
Brugia malayi TAR-binding protein 0.0065 0.8591 0.8402
Schistosoma mansoni ap endonuclease 0.0019 0.1366 0.159
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.1525 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.1525 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.1525 0.1633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.1049 0.1221
Schistosoma mansoni zinc finger protein 0.0015 0.0778 0.0905
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.1183 0.0177
Loa Loa (eye worm) hypothetical protein 0.0069 0.9339 1
Brugia malayi Bloom's syndrome protein homolog 0.002 0.1525 0.0389
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1525 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.7163 0.7669
Loa Loa (eye worm) hypothetical protein 0.002 0.1525 0.1633
Brugia malayi PHD-finger family protein 0.0024 0.2263 0.1225
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1525 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0778 0.51
Echinococcus granulosus zinc finger protein 0.0019 0.1439 0.0517
Trypanosoma cruzi ISWI complex protein 0.0015 0.0778 0.51
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.7163 0.6782
Schistosoma mansoni hypothetical protein 0.0018 0.1183 0.1376
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1366 0.1463

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human carbonic anhydrase 2 assessed as conversion of 4-nitrophenyl acetate to 4-nitrophnolate after 5 mins ChEMBL. 20036446

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

1 literature reference was collected for this gene.

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