Detailed information for compound 1802824

Basic information

Technical information
  • TDR Targets ID: 1802824
  • Name: [(1R,2R,4S,5S)-4-acetyloxy-2-(2-hydroxypropan -2-yl)-5-methylcyclohexyl] acetate
  • MW: 272.337 | Formula: C14H24O5
  • H donors: 1 H acceptors: 3 LogP: 1.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1C[C@H]([C@@H](C[C@@H]1C)OC(=O)C)C(O)(C)C
  • InChi: 1S/C14H24O5/c1-8-6-13(19-10(3)16)11(14(4,5)17)7-12(8)18-9(2)15/h8,11-13,17H,6-7H2,1-5H3/t8-,11+,12-,13+/m0/s1
  • InChiKey: LHVYGTHILWDTMI-OQCKYNKVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1R,2R,4S,5S)-4-acetoxy-2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexyl] acetate
  • acetic acid [(1R,2R,4S,5S)-4-acetoxy-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexyl] ester
  • acetic acid [(1R,2R,4S,5S)-4-acetoxy-2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexyl] ester
  • [(1R,2R,4S,5S)-4-acetyloxy-2-(2-hydroxypropan-2-yl)-5-methyl-cyclohexyl] ethanoate

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
Onchocerca volvulus 0.0023 0.1232 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0007 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0023 0.1232 0.1232
Leishmania major cytochrome p450-like protein 0.0007 0 0.5
Brugia malayi Carboxylesterase family protein 0.0023 0.1232 0.1232
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.1232 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0007 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0134 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.1232 0.1232
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0007 0 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Echinococcus granulosus acetylcholinesterase 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.1232 1
Onchocerca volvulus 0.0023 0.1232 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Leishmania major cytochrome p450-like protein 0.0007 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.1232 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0 0.5
Onchocerca volvulus 0.0023 0.1232 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Trypanosoma cruzi cytochrome P450, putative 0.0007 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0134 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.1232 1
Schistosoma mansoni acetylcholinesterase 0.0023 0.1232 0.1232
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.1232 1
Trypanosoma cruzi cytochrome P450, putative 0.0007 0 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.1232 0.1232
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.1232 0.1232
Loa Loa (eye worm) carboxylesterase 0.0023 0.1232 0.1232
Echinococcus multilocularis neuroligin 0.0023 0.1232 0.1232
Loa Loa (eye worm) carboxylesterase 0.0134 1 1
Brugia malayi Carboxylesterase family protein 0.0023 0.1232 0.1232
Mycobacterium leprae Conserved hypothetical protein 0.0007 0 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.1232 0.1232
Brugia malayi Carboxylesterase family protein 0.0023 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0023 0.1232 0.1232
Schistosoma mansoni gliotactin 0.0023 0.1232 0.1232
Leishmania major cytochrome p450-like protein 0.0007 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0134 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.1232 0.5
Onchocerca volvulus 0.0023 0.1232 0.5
Trypanosoma brucei cytochrome P450, putative 0.0007 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 1 1
Brugia malayi hypothetical protein 0.0023 0.1232 0.1232
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.1232 0.1232
Brugia malayi Carboxylesterase family protein 0.0023 0.1232 0.1232
Brugia malayi Carboxylesterase family protein 0.0134 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.1232 0.1232
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.1232 0.1232
Echinococcus granulosus carboxylesterase 5A 0.0134 1 1
Mycobacterium leprae putative cytochrome p450 0.0007 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0134 1 1
Onchocerca volvulus 0.0023 0.1232 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.1232 0.1232
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.1232 0.1232
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0007 0 0.5
Echinococcus granulosus neuroligin 0.0023 0.1232 0.1232

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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