Detailed information for compound 1844542

Basic information

Technical information
  • TDR Targets ID: 1844542
  • Name: 4-(2-cyclohexylethyl)-4-hydroxy-5,5-dimethylo xolan-2-one
  • MW: 240.339 | Formula: C14H24O3
  • H donors: 1 H acceptors: 2 LogP: 3.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC(C(C1)(O)CCC1CCCCC1)(C)C
  • InChi: 1S/C14H24O3/c1-13(2)14(16,10-12(15)17-13)9-8-11-6-4-3-5-7-11/h11,16H,3-10H2,1-2H3
  • InChiKey: DMCSVDAASXDRTF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2-cyclohexylethyl)-4-hydroxy-5,5-dimethyl-tetrahydrofuran-2-one
  • 4-(2-cyclohexylethyl)-4-hydroxy-5,5-dimethyl-2-tetrahydrofuranone
  • 4-(2-cyclohexylethyl)-4-hydroxy-5,5-dimethyl-oxolan-2-one

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
Brugia malayi intermediate filament protein 0.0029 0.005 0.005
Mycobacterium tuberculosis Conserved protein 0.0423 0.1542 1
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.2656 1 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0423 0.1542 1
Echinococcus granulosus muscleblind protein 0.0159 0.0543 0.0495
Loa Loa (eye worm) hypothetical protein 0.0159 0.0543 0.0543
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.2656 1 1
Loa Loa (eye worm) leucyl aminopeptidase 0.0423 0.1542 0.1542
Trypanosoma cruzi glutaminyl cyclase, putative 0.0423 0.1542 1
Toxoplasma gondii peptidase, M28 family protein 0.0423 0.1542 1
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0096 0.0046
Loa Loa (eye worm) intermediate filament protein 0.0029 0.005 0.005
Onchocerca volvulus Glutaminyl cyclase homolog 0.2656 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0186 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0423 0.1542 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.2656 1 1
Brugia malayi FXNA 0.0423 0.1542 0.1542
Onchocerca volvulus Fxna peptidase homolog 0.0423 0.1542 0.1499
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0208 0.5
Loa Loa (eye worm) hypothetical protein 0.0423 0.1542 0.1542
Trichomonas vaginalis conserved hypothetical protein 0.0423 0.1542 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0208 0.0208
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0423 0.1542 0.1499
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0423 0.1542 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0208 0.0157
Onchocerca volvulus 0.0423 0.1542 0.1499
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0208 0.0158
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0208 0.0208
Leishmania major hypothetical protein, conserved 0.0423 0.1542 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0208 0.0158
Schistosoma mansoni Fxna peptidase (M28 family) 0.0423 0.1542 0.1499
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0423 0.1542 0.1499
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0423 0.1542 0.1499
Trichomonas vaginalis conserved hypothetical protein 0.0423 0.1542 0.5
Brugia malayi nicalin 0.0423 0.1542 0.1542
Loa Loa (eye worm) hypothetical protein 0.0159 0.0543 0.0543
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0423 0.1542 0.1499
Onchocerca volvulus Fxna peptidase homolog 0.0423 0.1542 0.1499
Loa Loa (eye worm) hypothetical protein 0.0423 0.1542 0.1542
Brugia malayi Muscleblind-like protein 0.0159 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0029 0.005 0.005
Echinococcus multilocularis muscleblind protein 0.0159 0.0543 0.0495
Mycobacterium ulcerans hypothetical protein 0.0423 0.1542 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0423 0.1542 1
Brugia malayi leucyl aminopeptidase 0.0423 0.1542 0.1542
Trypanosoma brucei glutaminyl cyclase, putative 0.0423 0.1542 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0208 0.0158
Loa Loa (eye worm) hypothetical protein 0.2656 1 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0423 0.1542 0.1499
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0186 0.0137
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0423 0.1542 0.1499
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0186 0.0137
Leishmania major glutaminyl cyclase, putative 0.0423 0.1542 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.005 0.005
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.005 0.005
Onchocerca volvulus Fxna peptidase homolog 0.0423 0.1542 0.1499
Loa Loa (eye worm) hypothetical protein 0.0028 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0423 0.1542 0.1542
Schistosoma mansoni nicalin (M28 family) 0.0423 0.1542 0.1499
Trypanosoma cruzi glutaminyl cyclase, putative 0.0423 0.1542 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0096 0.0046
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0423 0.1542 0.1499
Loa Loa (eye worm) hypothetical protein 0.0423 0.1542 0.1542
Toxoplasma gondii hypothetical protein 0.0423 0.1542 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0186 0.0137
Echinococcus multilocularis muscleblind protein 1 0.0159 0.0543 0.0495

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.