Detailed information for compound 1783317

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.45 | Formula: C20H30O3
  • H donors: 3 H acceptors: 3 LogP: 3.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)[C@](CO)(O)C)C
  • InChi: 1S/C20H30O3/c1-18(12-21)9-4-10-19(2)16-7-6-15(20(3,23)13-22)11-14(16)5-8-17(18)19/h6-7,11,17,21-23H,4-5,8-10,12-13H2,1-3H3/t17-,18+,19+,20-/m0/s1
  • InChiKey: JGNPUBAMNFDQHS-NMLBUPMWSA-N  

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
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0102 1 1
Plasmodium vivax DNA repair protein RAD51, putative 0.0033 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0073 0.0073
Plasmodium falciparum DNA repair protein RAD51 0.0033 0 0.5
Chlamydia trachomatis excinuclease ABC subunit C 0.0069 0.5261 0.5
Wolbachia endosymbiont of Brugia malayi Holliday junction DNA helicase RuvA 0.0069 0.5261 0.5
Echinococcus granulosus dna repair protein rad51 1 0.0102 1 1
Plasmodium falciparum meiotic recombination protein DMC1, putative 0.0033 0 0.5
Onchocerca volvulus Meiotic recombination protein DMC1\/LIM15 homolog 0.0033 0 0.5
Giardia lamblia DNA helicase 0.0069 0.5261 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.1196 0.1196
Leishmania major cytochrome p450-like protein 0.0041 0.1196 0.1196
Loa Loa (eye worm) rad51 0.0102 1 1
Mycobacterium ulcerans Holliday junction DNA helicase RuvA 0.0069 0.5261 1
Mycobacterium ulcerans excinuclease ABC subunit C 0.0069 0.5261 1
Chlamydia trachomatis DNA ligase 0.0069 0.5261 0.5
Brugia malayi Cytochrome P450 family protein 0.0041 0.1196 0.1196
Loa Loa (eye worm) CYP4Cod1 0.0041 0.1196 0.1196
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0102 1 1
Chlamydia trachomatis exodeoxyribonuclease V subunit alpha 0.0069 0.5261 0.5
Brugia malayi Cytochrome P450 family protein 0.0041 0.1196 0.1196
Trichomonas vaginalis meiosis-specific recA homolog Dmc1 0.0102 1 1
Giardia lamblia hypothetical protein 0.0069 0.5261 1
Mycobacterium tuberculosis Probable holliday junction DNA helicase RuvA 0.0069 0.5261 0.5
Treponema pallidum Holliday junction DNA helicase (ruvA) 0.0069 0.5261 0.5
Wolbachia endosymbiont of Brugia malayi transcription elongation factor NusA 0.0069 0.5261 0.5
Plasmodium vivax meiotic recombination protein DMC1, putative 0.0033 0 0.5
Leishmania major RAD51/dmc1 protein 0.0102 1 1
Entamoeba histolytica DNA repair protein RAD51, putative 0.0102 1 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0073 0.0073
Schistosoma mansoni DNA repair protein RAD51 0.0102 1 1
Echinococcus multilocularis dna repair protein rad51 1 0.0102 1 1
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0069 0.5261 0.5261
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0102 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.1196 0.1196
Toxoplasma gondii meiotic recombination protein DMC1 family protein 0.0102 1 1
Mycobacterium leprae Probable Holliday junction DNA helicase component RuvA 0.0069 0.5261 0.5
Chlamydia trachomatis Holliday junction ATP-dependent DNA helicase RuvA 0.0069 0.5261 0.5
Trypanosoma brucei cytochrome P450, putative 0.0041 0.1196 1
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0102 1 1

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.
 
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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