Detailed information for compound 793789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.897 | Formula: C19H20ClN3O5S
  • H donors: 3 H acceptors: 4 LogP: 1.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
  • InChi: 1S/C19H20ClN3O5S/c1-28-17-6-3-13(11-15(17)20)22-19(25)8-9-21-29(26,27)14-4-5-16-12(10-14)2-7-18(24)23-16/h3-6,10-11,21H,2,7-9H2,1H3,(H,22,25)(H,23,24)
  • InChiKey: UOVAFLOQESFMQK-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
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0643 0.1029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1592 0.1828
Loa Loa (eye worm) hypothetical protein 0.015 0.5729 0.6579
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0154 0.0176
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0563 0.0646
Brugia malayi intermediate filament protein 0.0028 0.0563 0.0646
Loa Loa (eye worm) hypothetical protein 0.0105 0.3808 0.4374
Echinococcus granulosus lamin 0.0028 0.0563 0.0888
Onchocerca volvulus 0.0032 0.0693 0.0137
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0154 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0154 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0693 0.1307
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.006 0.0069
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0154 0.0176
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.1433 0.1646
Loa Loa (eye worm) hypothetical protein 0.015 0.5729 0.6579
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0693 0.1116
Schistosoma mansoni tar DNA-binding protein 0.013 0.4903 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0883 0.1014
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0154 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0693 0.1116
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0693 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0563 0.0646
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0883 0.1014
Loa Loa (eye worm) RNA binding protein 0.013 0.4903 0.5631
Loa Loa (eye worm) hypothetical protein 0.0028 0.0563 0.0646
Loa Loa (eye worm) hypothetical protein 0.0017 0.006 0.0069
Trichomonas vaginalis set domain proteins, putative 0.025 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.4903 0.5631
Schistosoma mansoni ap endonuclease 0.0019 0.0154 0.0194
Plasmodium vivax SET domain protein, putative 0.0032 0.0693 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1592 0.1828
Echinococcus multilocularis musashi 0.0028 0.0563 0.0888
Brugia malayi TAR-binding protein 0.013 0.4903 0.5631
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0154 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0693 0.1307
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.1592 0.1828
Echinococcus multilocularis tar DNA binding protein 0.013 0.4903 0.8544
Schistosoma mansoni tar DNA-binding protein 0.013 0.4903 1
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0105 0.3808 0.3439
Echinococcus multilocularis muscleblind protein 0.015 0.5729 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0154 0.5
Loa Loa (eye worm) TAR-binding protein 0.013 0.4903 0.5631
Schistosoma mansoni intermediate filament proteins 0.0028 0.0563 0.1039
Brugia malayi HSF-type DNA-binding domain containing protein 0.0105 0.3808 0.4374
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.3808 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0541 0.0621
Echinococcus multilocularis lamin dm0 0.0028 0.0563 0.0888
Brugia malayi Muscleblind-like protein 0.015 0.5729 0.6579
Schistosoma mansoni ap endonuclease 0.0019 0.0154 0.0194
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0693 0.1307
Brugia malayi Pre-SET motif family protein 0.022 0.8707 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0563 0.0888
Schistosoma mansoni tar DNA-binding protein 0.013 0.4903 1
Brugia malayi RNA recognition motif domain containing protein 0.013 0.4903 0.5631
Echinococcus granulosus tar DNA binding protein 0.013 0.4903 0.8544
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0693 0.1116
Brugia malayi Latrophilin receptor protein 2 0.0017 0.006 0.0069
Schistosoma mansoni tar DNA-binding protein 0.013 0.4903 1
Echinococcus multilocularis muscleblind protein 1 0.015 0.5729 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.8707 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0154 0.0166
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0154 0.0166
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0154 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0563 0.0646
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0154 0.5
Echinococcus granulosus lamin dm0 0.0028 0.0563 0.0888
Loa Loa (eye worm) hypothetical protein 0.0032 0.0693 0.0795
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.3808 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0154 0.5
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.3808 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0693 0.0795
Brugia malayi Cytochrome P450 family protein 0.0049 0.1433 0.1646
Schistosoma mansoni tar DNA-binding protein 0.013 0.4903 1
Echinococcus granulosus muscleblind protein 0.015 0.5729 1
Brugia malayi RNA binding protein 0.013 0.4903 0.5631
Schistosoma mansoni hypothetical protein 0.0036 0.0883 0.1699
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0693 0.1307
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1592 0.1828
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.006 0.0069
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0154 0.5
Schistosoma mansoni lamin 0.0028 0.0563 0.1039
Schistosoma mansoni lamin 0.0028 0.0563 0.1039
Echinococcus multilocularis lamin 0.0028 0.0563 0.0888

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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