Detailed information for compound 285620

Basic information

Technical information
  • TDR Targets ID: 285620
  • Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexa n-1-one
  • MW: 288.381 | Formula: C18H24O3
  • H donors: 0 H acceptors: 1 LogP: 3.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC1CCCC1)C1CCC(=O)CC1
  • InChi: 1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3
  • InChiKey: LPZMRVKAJJEVKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanone
  • 4-[3-(cyclopentoxy)-4-methoxyphenyl]cyclohexanone
  • 4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexan-1-one
  • 4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexan-1-one
  • 4-[3-(cyclopentoxy)-4-methoxyphenyl]-1-cyclohexanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References
Rattus norvegicus Phosphodiesterase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus SH3 domain-binding glutamic acid-rich protein homolog Phosphodiesterase 4   536 aa 527 aa 52.6 %
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Phosphodiesterase 4   536 aa 456 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glutamate receptor NMDA 0.0242 0.3564 0.3564
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0223 0.2788 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0223 0.2788 0.2788
Schistosoma mansoni glutamate receptor NMDA 0.036 0.8453 1
Echinococcus multilocularis nmda type glutamate receptor 0.0398 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0223 0.2788 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0223 0.2788 0.1347
Loa Loa (eye worm) hypothetical protein 0.0223 0.2788 1
Echinococcus granulosus glutamate receptor NMDA 0.0242 0.3564 0.2278
Echinococcus granulosus nmda type glutamate receptor 0.0269 0.4685 0.3623
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0223 0.2788 0.1347
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0223 0.2788 0.2788
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0196 0.1665 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.1665 0.1665
Echinococcus multilocularis nmda type glutamate receptor 0.0269 0.4685 0.4685

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 70 nM Competition of [3H]-rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol ChEMBL. 9526558
IC50 (binding) = 70 nM Competition of [3H]-rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol ChEMBL. 9526558
IC50 (binding) = 120 nM Inhibition activity against human monocyte dervived PDE4 catalytic activity (LPDE4) ChEMBL. 9526558
IC50 (binding) = 120 nM Inhibition activity against human monocyte dervived PDE4 catalytic activity (LPDE4) ChEMBL. 9526558
Selectivity (binding) = 0.6 Value is the ratio between HPDE4 and LPDE4 ChEMBL. 9526558

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.

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