Detailed information for compound 993143

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.372 | Formula: C19H13F2NO5S
  • H donors: 2 H acceptors: 3 LogP: 3.73 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)c1c(O)ccc2c1OCO2)F
  • InChi: 1S/C19H13F2NO5S/c20-11-1-4-13(5-2-11)28(24,25)22-12-3-6-15(21)14(9-12)18-16(23)7-8-17-19(18)27-10-26-17/h1-9,22-23H,10H2
  • InChiKey: SZTDODCDMDELIX-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 PIKK family atypical protein kinase 0.005 0.1163 1
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.6307 0.6307
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.2181 0.3458
Brugia malayi MH2 domain containing protein 0.0136 0.413 0.413
Schistosoma mansoni hypothetical protein 0.008 0.2181 0.3458
Loa Loa (eye worm) RNA binding protein 0.0198 0.6307 0.6307
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.1163 0.5
Echinococcus multilocularis tar DNA binding protein 0.0198 0.6307 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.1163 0.1844
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0459 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0358 0.3078
Schistosoma mansoni hypothetical protein 0.0172 0.5393 0.8551
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.2181 0.3458
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.014 0.1204
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0806 0.6934
Onchocerca volvulus 0.0305 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0806 0.6934
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.2181 0.3458
Leishmania major hypothetical protein, conserved 0.0025 0.0296 0.2547
Echinococcus multilocularis GPCR, family 2 0.008 0.2181 0.3458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0357 0.3066
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.1163 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.5393 0.5393
Schistosoma mansoni tar DNA-binding protein 0.0198 0.6307 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0296 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1163 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0252 0.816 0.816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0358 0.3078
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.1163 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0296 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0241 0.207
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0252 0.816 0.816
Loa Loa (eye worm) hypothetical protein 0.0305 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.2181 0.2181
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.1163 0.1844
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0805 0.6922
Brugia malayi latrophilin 2 splice variant baaae 0.0172 0.5393 0.5393
Brugia malayi hypothetical protein 0.0025 0.0296 0.0296
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0296 0.2547
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.2181 0.3458
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1163 1
Echinococcus granulosus tar DNA binding protein 0.0198 0.6307 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.6307 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0296 0.2547
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0805 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0357 0.3066
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.413 0.413
Schistosoma mansoni tar DNA-binding protein 0.0198 0.6307 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.1163 0.1844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0358 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0805 0.6922
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.1163 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.1163 0.5
Loa Loa (eye worm) hypothetical protein 0.0252 0.816 0.816
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.1163 0.1163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0358 0.3078
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.1163 1
Echinococcus granulosus GPCR family 2 0.008 0.2181 0.3458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0357 0.3066
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0715 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.0296
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0296 0.2547
Schistosoma mansoni hypothetical protein 0.008 0.2181 0.3458
Brugia malayi RNA binding protein 0.0198 0.6307 0.6307
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.1163 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0459 0.3945
Loa Loa (eye worm) hypothetical protein 0.008 0.2181 0.2181
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0806 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0448 0.3855
Schistosoma mansoni hypothetical protein 0.008 0.2181 0.3458
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0459 0.3945
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.413 0.413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.2181 0.2181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0587 0.5047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0549 0.4722
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0805 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0448 0.3855
Brugia malayi Calcitonin receptor-like protein seb-1 0.0252 0.816 0.816
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.6307 0.6307
Schistosoma mansoni tar DNA-binding protein 0.0198 0.6307 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.1163 1
Loa Loa (eye worm) TAR-binding protein 0.0198 0.6307 0.6307
Giardia lamblia GTOR 0.005 0.1163 0.5
Brugia malayi TAR-binding protein 0.0198 0.6307 0.6307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Schistosoma mansoni hypothetical protein 0.008 0.2181 0.3458
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0296 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Schistosoma mansoni tar DNA-binding protein 0.0198 0.6307 1
Brugia malayi Latrophilin receptor protein 2 0.008 0.2181 0.2181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0907 0.78
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0805 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0715 0.6145
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.1163 0.1163

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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