Detailed information for compound 565091

Basic information

Technical information
  • TDR Targets ID: 565091
  • Name: [(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-m ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocycl openta[a]phenanthren-3-yl] hydrogen sulfate
  • MW: 368.445 | Formula: C18H24O6S
  • H donors: 3 H acceptors: 5 LogP: 2.34 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O
  • InChi: 1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1
  • InChiKey: ZORQMBLUMWNJEQ-ZXXIGWHRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • sulfuric acid [(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
  • estriol 3-sulfate
  • 481-95-8
  • 16alpha-Hydroxyestradiol 3-sulfate
  • Estra-1,3,5(10)-triene-3,16,17-triol, 3-(hydrogen sulfate), (16alpha,17beta)-
  • Estriol-3-sulfate

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 geminin 0.0179 0.4853 0.4853
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2442 0.3697
Schistosoma mansoni hypothetical protein 0.0034 0.0066 0.0066
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0111 0.0111
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0 0.5
Brugia malayi Ets-domain containing protein 0.0077 0.1482 0.2244
Schistosoma mansoni hypothetical protein 0.0179 0.4853 0.4853
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0066 0.0066
Brugia malayi Ets-domain containing protein 0.0077 0.1482 0.2244
Schistosoma mansoni tar DNA-binding protein 0.0134 0.3347 0.3347
Echinococcus granulosus GPCR family 2 0.0034 0.0066 0.0066
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0066 0.01
Brugia malayi hypothetical protein 0.0035 0.0111 0.0168
Echinococcus granulosus tar DNA binding protein 0.0134 0.3347 0.3347
Schistosoma mansoni hypothetical protein 0.0072 0.1342 0.1342
Schistosoma mansoni ets-related 0.0233 0.6604 0.6604
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2442 0.3697
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.1482 0.1482
Entamoeba histolytica hypothetical protein 0.0035 0.0111 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0066 0.0066
Brugia malayi Fli-1 protein 0.0233 0.6604 1
Echinococcus multilocularis tar DNA binding protein 0.0134 0.3347 0.3347
Schistosoma mansoni hypothetical protein 0.0336 1 1
Brugia malayi RNA, U transporter 1 0.009 0.1906 0.2885
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1342 0.2032
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0111 0.0111
Entamoeba histolytica hypothetical protein 0.0035 0.0111 0.5
Loa Loa (eye worm) RNA binding protein 0.0134 0.3347 0.3347
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.1482 0.1482
Loa Loa (eye worm) hypothetical protein 0.0072 0.1342 0.1342
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.1482 0.1482
Echinococcus multilocularis GPCR, family 2 0.0034 0.0066 0.0066
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.3347 0.5067
Loa Loa (eye worm) hypothetical protein 0.0066 0.1117 0.1117
Schistosoma mansoni hypothetical protein 0.0034 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0034 0.0066 0.0066
Loa Loa (eye worm) fli-1 protein 0.0233 0.6604 0.6604
Plasmodium falciparum importin beta, putative 0.0032 0 0.5
Echinococcus multilocularis snurportin 1 0.0336 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0066 0.0066
Plasmodium vivax importin-beta 2, putative 0.0032 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0134 0.3347 0.3347
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0066 0.01
Schistosoma mansoni gabp alpha 0.0077 0.1482 0.1482
Schistosoma mansoni tar DNA-binding protein 0.0134 0.3347 0.3347
Brugia malayi RNA binding protein 0.0134 0.3347 0.5067
Schistosoma mansoni hypothetical protein 0.0034 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0106 0.2442 0.2442
Loa Loa (eye worm) TAR-binding protein 0.0134 0.3347 0.3347
Schistosoma mansoni hypothetical protein 0.0034 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0035 0.0111 0.5
Echinococcus multilocularis geminin 0.0179 0.4853 0.4853
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0066 0.0066
Brugia malayi TAR-binding protein 0.0134 0.3347 0.5067
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.3347 0.3347
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2442 0.2442
Schistosoma mansoni tar DNA-binding protein 0.0134 0.3347 0.3347
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0336 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0179 0.4853 0.4853
Entamoeba histolytica hypothetical protein 0.0035 0.0111 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0134 0.3347 0.3347
Schistosoma mansoni hypothetical protein 0.0035 0.0111 0.0111

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 49.4 % TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 1 uM, 16alpha,17beta-Estriol 3-sulfate: 100 uM) in membrane vesicles from MRP7-expressing HEK293 cells ChEMBL. 12527806

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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