Detailed information for compound 270068

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.475 | Formula: C23H30Cl2O2Si
  • H donors: 2 H acceptors: 2 LogP: 5.87 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC[Si](C#C[C@@]1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)(CCl)C
  • InChi: 1S/C23H30Cl2O2Si/c1-22-9-7-19-18-6-4-17(26)13-16(18)3-5-20(19)21(22)8-10-23(22,27)11-12-28(2,14-24)15-25/h4,6,13,19-21,26-27H,3,5,7-10,14-15H2,1-2H3/t19?,20?,21?,22?,23-/m1/s1
  • InChiKey: OSVYMBOLFGFHEY-PMNLSXDQSA-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
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.004 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.1027 0.0954
Brugia malayi Latrophilin receptor protein 2 0.0141 0.0462 0.0462
Schistosoma mansoni sodium-bile acid cotransporter related 0.1076 0.4012 0.3963
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.004 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.029 0.1027 0.0954
Echinococcus granulosus GPCR family 2 0.0141 0.0462 0.0384
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0081 1
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0673 0.0597
Echinococcus multilocularis sodium bile acid cotransporter 0.2653 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.004 0.1053
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0141 0.0462 0.0384
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0673 0.0597
Echinococcus multilocularis GPCR, family 2 0.0141 0.0462 0.0384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.1027 0.0954
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.029 0.1027 0.0954
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.029 0.1027 0.0954
Echinococcus granulosus sodium bile acid cotransporter 0.2653 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0445 0.1617 0.1617
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.004 0.1053
Leishmania major hypothetical protein, conserved 0.003 0.004 0.1053
Loa Loa (eye worm) hypothetical protein 0.004 0.0081 0.0041
Loa Loa (eye worm) hypothetical protein 0.0141 0.0462 0.0424
Brugia malayi MH2 domain containing protein 0.0138 0.0453 0.0453
Echinococcus granulosus tar DNA binding protein 0.0196 0.0673 0.0597
Brugia malayi hypothetical protein 0.003 0.004 0.004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.029 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0445 0.1617 0.1584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0445 0.1617 0.1617
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0081 0.0081
Brugia malayi RNA recognition motif domain containing protein 0.0196 0.0673 0.0673
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0673 0.0597
Loa Loa (eye worm) latrophilin receptor protein 2 0.0141 0.0462 0.0424
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0453 0.0414
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0673 0.0597
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0141 0.0462 0.0384
Echinococcus granulosus sodium bile acid cotransporter 0.2653 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.004 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0196 0.0673 0.0635
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.004 0.5
Leishmania major DNA polymerase eta, putative 0.004 0.0081 1
Loa Loa (eye worm) TAR-binding protein 0.0196 0.0673 0.0635
Brugia malayi TAR-binding protein 0.0196 0.0673 0.0673
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.1027 0.0954
Loa Loa (eye worm) hypothetical protein 0.2653 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0141 0.0462 0.0384
Schistosoma mansoni sodium-bile acid cotransporter related 0.2653 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0453 0.0414
Onchocerca volvulus 0.2653 1 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0081 1
Echinococcus multilocularis sodium bile acid cotransporter 0.2653 1 1
Echinococcus granulosus sodium bile acid cotransporter 0.2653 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0445 0.1617 0.1584
Schistosoma mansoni hypothetical protein 0.0141 0.0462 0.0384
Loa Loa (eye worm) hypothetical protein 0.0304 0.1083 0.1047
Loa Loa (eye worm) RNA binding protein 0.0196 0.0673 0.0635
Schistosoma mansoni hypothetical protein 0.0141 0.0462 0.0384
Brugia malayi latrophilin 2 splice variant baaae 0.0304 0.1083 0.1083
Echinococcus multilocularis sodium bile acid cotransporter 0.2653 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.029 0.1027 0.0991
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0141 0.0462 0.0462
Echinococcus multilocularis tar DNA binding protein 0.0196 0.0673 0.0597
Schistosoma mansoni hypothetical protein 0.0141 0.0462 0.0384
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0141 0.0462 0.0384
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.029 0.1027 0.0954
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0673 0.0597
Schistosoma mansoni hypothetical protein 0.0141 0.0462 0.0384
Schistosoma mansoni sodium-bile acid cotransporter 0.1577 0.5916 0.5882
Brugia malayi RNA binding protein 0.0196 0.0673 0.0673
Schistosoma mansoni hypothetical protein 0.0304 0.1083 0.101

Activities

Activity type Activity value Assay description Source Reference
Antifertility potency (functional) = 150 Antifertility activity measured as minimum protective dose for prevention of pregnancy in rats ChEMBL. 3560158
Estrogenic potency (functional) = 39 Evaluation of oral estrogenic activity by using immature female rats ovariectomized at 21 days of age. ChEMBL. 3560158
Separation (functional) = 4 Separation of antifertility from estrogenic activity in rats was measured ChEMBL. 3560158

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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