Detailed information for compound 946727

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.412 | Formula: C21H24O6
  • H donors: 0 H acceptors: 3 LogP: 2.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1CC[C@@]23[C@@H]([C@@]1(C)CC(=O)c1ccoc1)CCC=C3C(=O)OC2
  • InChi: 1S/C21H24O6/c1-20(10-16(22)13-7-9-26-11-13)14(18(23)25-2)6-8-21-12-27-19(24)15(21)4-3-5-17(20)21/h4,7,9,11,14,17H,3,5-6,8,10,12H2,1-2H3/t14-,17+,20-,21+/m0/s1
  • InChiKey: RXMKNHZLQNBAPQ-QUUBWDHISA-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
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0068 0.1414 1
Trypanosoma brucei monoglyceride lipase, putative 0.0068 0.1414 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0073 0.1535 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0051 0.0988 0.5
Loa Loa (eye worm) amidase 0.0051 0.0988 0.0988
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.1414 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0051 0.0988 0.0988
Schistosoma mansoni transient receptor potential channel 0.001 0.00000012788 0.00000012788
Loa Loa (eye worm) hypothetical protein 0.001 0.00000012788 0.00000012788
Brugia malayi Amidase family protein 0.0051 0.0988 0.0988
Echinococcus multilocularis transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Echinococcus granulosus fatty acid amide hydrolase 1 0.0421 1 1
Plasmodium vivax PST-A protein 0.0068 0.1414 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.1414 1
Toxoplasma gondii hypothetical protein 0.001 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0068 0.1414 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.1414 1
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0405 0.9601 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.1414 1
Brugia malayi putative amidase 0.0051 0.0988 0.0988
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.001 0 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0421 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.001 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0421 1 1
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.0405 0.9601 1
Toxoplasma gondii transporter, cation channel family protein 0.001 0 0.5
Brugia malayi Amidase family protein 0.0051 0.0988 0.0988
Trypanosoma cruzi amidase, putative 0.0051 0.0988 0.6986
Mycobacterium ulcerans lysophospholipase 0.0068 0.1414 0.0495
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0421 1 1
Plasmodium falciparum lysophospholipase, putative 0.0068 0.1414 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.001 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.001 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.001 0 0.5
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0051 0.0988 0.5
Trypanosoma cruzi amidase, putative 0.0051 0.0988 0.6986
Schistosoma mansoni fatty-acid amide hydrolase 0.0051 0.0988 0.0988
Schistosoma mansoni fatty-acid amide hydrolase 0.0421 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0051 0.0988 0.0988
Trypanosoma brucei monoglyceride lipase, putative 0.0068 0.1414 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0051 0.0988 0.5
Brugia malayi olfactory channel protein osm-9 0.001 0.00000012788 0.00000012788
Leishmania major monoglyceride lipase, putative 0.0068 0.1414 1
Plasmodium falciparum lysophospholipase, putative 0.0068 0.1414 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0068 0.1414 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.00000012788 0.00000012788
Plasmodium falciparum esterase, putative 0.0068 0.1414 1
Loa Loa (eye worm) amidase 0.0051 0.0988 0.0988
Toxoplasma gondii hypothetical protein 0.001 0 0.5
Echinococcus granulosus transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Schistosoma mansoni transient receptor potential channel 0.001 0.00000012788 0.00000012788
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0068 0.1414 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.00000012788 0.00000012788
Schistosoma mansoni amidase 0.0421 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0051 0.0988 0.6986
Trypanosoma cruzi monoglyceride lipase, putative 0.0068 0.1414 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.1414 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.1414 1
Echinococcus granulosus transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Echinococcus multilocularis transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Leishmania major hypothetical protein, conserved 0.0051 0.0988 0.6986
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0051 0.0988 0.0988
Loa Loa (eye worm) hypothetical protein 0.0421 1 1
Onchocerca volvulus 0.001 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.1414 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0051 0.0988 0.0988
Echinococcus granulosus transient receptor potential cation channel 0.001 0.00000012788 0.00000012788
Mycobacterium ulcerans hypothetical protein 0.0068 0.1414 0.0495
Mycobacterium tuberculosis Possible lysophospholipase 0.0073 0.1535 0.0636
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0051 0.0988 0.0988
Toxoplasma gondii transporter, cation channel family protein 0.001 0 0.5

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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