Detailed information for compound 828803

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.378 | Formula: C18H15F2NO3S
  • H donors: 0 H acceptors: 3 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(F)cccc1F)N(c1ccc(cc1)C)C1C=CS(=O)(=O)C1
  • InChi: 1S/C18H15F2NO3S/c1-12-5-7-13(8-6-12)21(14-9-10-25(23,24)11-14)18(22)17-15(19)3-2-4-16(17)20/h2-10,14H,11H2,1H3
  • InChiKey: HHTFFNNTGVPLQI-UHFFFAOYSA-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
Giardia lamblia DNA topoisomerase II 0.0136 0.1376 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.1798 0.3954
Onchocerca volvulus 0.0113 0.0983 0.1878
Onchocerca volvulus 0.0113 0.0983 0.1878
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0167 0.1902 0.102
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0139 0.1425 0.4456
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0147 0.1561 0.3566
Onchocerca volvulus Arrow homolog 0.0161 0.1798 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0186 0.2231 0.8245
Schistosoma mansoni DNA topoisomerase II 0.0147 0.1561 0.5099
Trypanosoma brucei DNA topoisomerase ii 0.0234 0.3041 1
Leishmania major mitochondrial DNA topoisomerase II 0.0234 0.3041 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0161 0.1798 0.0904
Brugia malayi Calcium binding EGF domain containing protein 0.0161 0.1798 1
Schistosoma mansoni c4b-binding protein beta chain 0.0113 0.0983 0.2382
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0305 0.4264 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0147 0.1561 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0234 0.3041 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0147 0.1561 0.764
Onchocerca volvulus 0.0113 0.0983 0.1878
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.064 1 1
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.064 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0234 0.3041 1
Plasmodium vivax DNA topoisomerase II, putative 0.0147 0.1561 0.0641
Toxoplasma gondii calcium binding egf domain-containing protein 0.0161 0.1798 0.0904
Loa Loa (eye worm) hypothetical protein 0.0322 0.4549 1
Onchocerca volvulus 0.0113 0.0983 0.1878
Echinococcus multilocularis fibrillin 1 0.0161 0.1798 0.5026
Onchocerca volvulus 0.0113 0.0983 0.1878
Mycobacterium ulcerans DNA gyrase subunit A 0.064 1 1
Onchocerca volvulus 0.0113 0.0983 0.1878
Echinococcus granulosus Tolloid protein 1 0.0208 0.2605 1
Plasmodium vivax DNA gyrase subunit A, putative 0.064 1 1
Echinococcus granulosus laminin 0.0161 0.1798 0.5026
Onchocerca volvulus 0.0113 0.0983 0.1878
Plasmodium falciparum DNA gyrase subunit A 0.064 1 1
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0113 0.0983 0.2162
Loa Loa (eye worm) hypothetical protein 0.0066 0.0178 0.039
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0161 0.1798 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Echinococcus multilocularis laminin 0.0161 0.1798 0.5026
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0147 0.1561 0.7094
Chlamydia trachomatis DNA gyrase subunit B 0.0313 0.4402 0.43
Brugia malayi Trypsin family protein 0.0139 0.1425 0.5417
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0147 0.1561 0.7094
Loa Loa (eye worm) hypothetical protein 0.0066 0.0178 0.039
Onchocerca volvulus 0.0113 0.0983 0.1878
Onchocerca volvulus 0.0139 0.1425 0.6277
Brugia malayi Fibulin-1 precursor 0.0161 0.1798 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0147 0.1561 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.1425 0.3132
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Loa Loa (eye worm) hypothetical protein 0.0161 0.1798 0.3954
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0161 0.1798 0.3954
Plasmodium falciparum DNA gyrase subunit B 0.0313 0.4402 0.3791
Onchocerca volvulus 0.0113 0.0983 0.1878
Plasmodium vivax DNA gyrase subunit B, putative 0.0313 0.4402 0.3791
Toxoplasma gondii DNA topoisomerase 2, putative 0.0147 0.1561 0.0641
Loa Loa (eye worm) hypothetical protein 0.0161 0.1798 0.3954
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0147 0.1561 0.3566
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.064 1 1
Brugia malayi Probable DNA topoisomerase II 0.0147 0.1561 0.7094
Chlamydia trachomatis DNA gyrase subunit B 0.0227 0.2922 0.2795
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0208 0.2605 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0161 0.1798 0.3954
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0208 0.2605 0.5727
Plasmodium falciparum DNA topoisomerase 2 0.0147 0.1561 0.0641
Schistosoma mansoni egf-like domain protein 0.0161 0.1798 0.6211
Loa Loa (eye worm) hypothetical protein 0.0208 0.2605 0.5727
Echinococcus multilocularis Tolloid protein 1 0.0208 0.2605 1
Loa Loa (eye worm) TOPoisomerase family member 0.0147 0.1561 0.3433
Loa Loa (eye worm) hypothetical protein 0.0139 0.1425 0.3132
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0147 0.1561 0.764
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0147 0.1561 0.764
Onchocerca volvulus 0.0113 0.0983 0.1878
Loa Loa (eye worm) hypothetical protein 0.0113 0.0983 0.2162
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.064 1 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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