Detailed information for compound 1664959

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 572.651 | Formula: C30H24N2O6S2
  • H donors: 2 H acceptors: 4 LogP: 6.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1C(=O)COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C30H24N2O6S2/c1-37-26-9-5-3-7-22(26)25(33)17-38-20-12-10-18(11-13-20)14-27-28(34)32(30(39)40-27)24(29(35)36)15-19-16-31-23-8-4-2-6-21(19)23/h2-14,16,24,31H,15,17H2,1H3,(H,35,36)/b27-14-/t24-/m0/s1
  • InChiKey: UZGNUMOUZPQGHS-GMSRUEHWSA-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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0959 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.4963 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4963 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0959 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0959 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0959 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0959 0.0959
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4963 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0959 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0959 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0959 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0959 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.4963 0.4963
Toxoplasma gondii exonuclease III APE 0.0018 0.0959 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0959 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0959 0.0959
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4963 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0959 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.0959 0.1933
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4963 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0959 0.1933
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0959 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4963 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0959 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4963 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 1 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4963 0.4963
Brugia malayi TAR-binding protein 0.0062 0.4963 0.4963
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0959 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0959 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4963 0.4963
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0959 0.1933
Schistosoma mansoni ap endonuclease 0.0018 0.0959 0.1933
Brugia malayi RNA binding protein 0.0062 0.4963 0.4963
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4963 0.4963

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 64 ug ml-1 Antibacterial activity against Escherichia coli 1356 after 24 hrs by two-fold serial dilution method ChEMBL. 22703706

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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