Detailed information for compound 896443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.915 | Formula: C23H17ClFN3O4S
  • H donors: 2 H acceptors: 3 LogP: 5.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(c(c1)Cl)F
  • InChi: 1S/C23H17ClFN3O4S/c1-14-6-8-16(9-7-14)26-22(29)18-12-15-4-2-3-5-21(15)32-23(18)27-28-33(30,31)17-10-11-20(25)19(24)13-17/h2-13,28H,1H3,(H,26,29)/b27-23-
  • InChiKey: CATGWNLCJLUEQO-VYIQYICTSA-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
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0048 0.2218 0.7163
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.1249 1
Entamoeba histolytica hypothetical protein 0.0034 0.1249 1
Echinococcus multilocularis geminin 0.0164 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0197 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.059 0.1906
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3096 0.3096
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.059 0.059
Loa Loa (eye worm) hypothetical protein 0.0021 0.0364 0.1175
Echinococcus granulosus tar DNA binding protein 0.0061 0.3096 0.3096
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.059 0.4002
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.059 0.4002
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0197 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2218 0.7163
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.015 0.0486
Schistosoma mansoni transcription factor btf3 0.0034 0.1249 0.1249
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.1249 1
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.1249 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0197 0.0428
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0197 0.0428
Schistosoma mansoni ap endonuclease 0.0018 0.0197 0.0197
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1191 0.3848
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3096 0.3096
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0197 0.5
Echinococcus multilocularis tar DNA binding protein 0.0061 0.3096 0.3096
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0197 0.0638
Brugia malayi RNA binding protein 0.0061 0.3096 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.015 0.0486
Schistosoma mansoni hypothetical protein 0.0164 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.1249 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.015 0.015
Schistosoma mansoni hypothetical protein 0.0033 0.1191 0.1191
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.015 0.015
Loa Loa (eye worm) RNA binding protein 0.0061 0.3096 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0197 0.0638
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0364 0.1941
Schistosoma mansoni ap endonuclease 0.0018 0.0197 0.0197
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.015 0.015
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0197 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0197 0.0197
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0153 0.0021
Loa Loa (eye worm) TAR-binding protein 0.0061 0.3096 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.1249 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.059 0.4002
Toxoplasma gondii exonuclease III APE 0.0018 0.0197 0.0428
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0197 0.0197
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0197 0.0428
Toxoplasma gondii NAC domain-containing protein 0.0034 0.1249 1
Brugia malayi beta-NAC-like protein 0.0034 0.1249 0.4034
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3096 0.3096
Schistosoma mansoni hypothetical protein 0.0164 1 1
Echinococcus granulosus transcription factor btf3 0.0034 0.1249 0.1249
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0197 0.5
Loa Loa (eye worm) ICD-1 protein 0.0034 0.1249 0.4034
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0197 0.0428
Loa Loa (eye worm) hypothetical protein 0.0033 0.1191 0.3848
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.3096 1
Leishmania major basic transcription factor 3a, putative 0.0034 0.1249 1
Toxoplasma gondii FATC domain-containing protein 0.0024 0.059 0.4002
Echinococcus granulosus serine protein kinase ATM 0.0024 0.059 0.059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2218 0.7163
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.059 0.059
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0197 0.0428
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.1249 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0197 0.0428
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.3096 1
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.1249 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.015 0.015
Echinococcus multilocularis transcription factor btf3 0.0034 0.1249 0.1249
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2218 0.7163
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.015 0.015
Brugia malayi TAR-binding protein 0.0061 0.3096 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.1249 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.015 0.0486
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.015 0.0486
Entamoeba histolytica hypothetical protein 0.0024 0.059 0.4002
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.015 0.015
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.1249 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3096 0.3096
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0197 0.0428
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0153 0.0021

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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