Detailed information for compound 508288

Basic information

Technical information
  • TDR Targets ID: 508288
  • Name: (3S,6R,6aR,7S,12aS)-6,6a,7,8-tetrahydroxy-3-m ethyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anth racene-1,12-dione
  • MW: 344.359 | Formula: C19H20O6
  • H donors: 4 H acceptors: 6 LogP: -0.52 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CC(=O)C2=C(C1)C[C@H]([C@@]1([C@H]2C(=O)c2cccc(c2[C@@H]1O)O)O)O
  • InChi: 1S/C19H20O6/c1-8-5-9-7-13(22)19(25)16(14(9)12(21)6-8)17(23)10-3-2-4-11(20)15(10)18(19)24/h2-4,8,13,16,18,20,22,24-25H,5-7H2,1H3/t8-,13+,16+,18-,19-/m0/s1
  • InChiKey: PKPHZFVECLENRP-XYOPJOGDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,6R,6aR,7S,12aS)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-quinone

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
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6048 0.6048
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6048 0.6048
Toxoplasma gondii exonuclease III APE 0.0019 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6048 0.6048
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.6048 0.6048
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.6048 0.6048
Brugia malayi RNA recognition motif domain containing protein 0.0063 1 1
Echinococcus multilocularis tar DNA binding protein 0.0063 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.6048 0.6048
Brugia malayi TAR-binding protein 0.0063 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6048 0.6048
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.6048 0.6048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.6048 0.6048
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antiprotozoal activity against Trichomonas vaginalis ChEMBL. 18081255
Activity (functional) Antibacterial activity against Escherichia coli at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) Antifungal activity against Candida albicans at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antiprotozoal activity against Trichomonas vaginalis ChEMBL. 18081255
Activity (functional) 0 Antibacterial activity against Staphylococcus aureus at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antibacterial activity against Bacillus subtilis at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antibacterial activity against Escherichia coli at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antibacterial activity against Pseudomonas aeruginosa at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antifungal activity against Mucor miehei at 20 to 120 ug/disk ChEMBL. 18081255
Activity (functional) 0 Antifungal activity against Candida albicans at 20 to 120 ug/disk ChEMBL. 18081255

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

1 literature reference was collected for this gene.

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