Detailed information for compound 585660

Basic information

Technical information
  • TDR Targets ID: 585660
  • Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydrox y-4-methoxy-4-methyl-oct-1-enyl]-5-oxo-cyclop entyl]heptanoic acid
  • MW: 398.534 | Formula: C22H38O6
  • H donors: 3 H acceptors: 5 LogP: 2.74 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@]([C@@H](C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O)(OC)C
  • InChi: 1S/C22H38O6/c1-4-5-14-22(2,28-3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20-,22-/m1/s1
  • InChiKey: IKYLGIKGFLQZBD-OVRPBERLSA-N  

Network

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Synonyms

  • 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
  • 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydroxy-4-methoxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • MDL 646
  • 83656-28-4
  • 15alpha,16(R),16-Methyl-16-methoxy-PGE1
  • 15alpha,16(R),16-Methyl-16-methoxy-prostaglandin E1
  • Prost-13-en-1-oic acid, 11,15-dihydroxy-16-methoxy-16-methyl-9-oxo-, (11alpha,13E,15R,16R)-

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
Loa Loa (eye worm) hypothetical protein 0.0112 0.5169 0.5169
Trypanosoma cruzi AMP deaminase 2, putative 0.0054 0 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0166 1 1
Echinococcus multilocularis adenosine deaminase 0.0166 1 1
Plasmodium falciparum adenosine deaminase 0.0166 1 1
Schistosoma mansoni adenosine deaminase-related 0.0166 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0166 1 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.0166 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0054 0 0.5
Leishmania major adenine aminohydrolase 0.0166 1 1
Echinococcus granulosus adenosine deaminase 0.0166 1 1
Mycobacterium ulcerans adenosine deaminase 0.0166 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0054 0 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0054 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.5169 0.5169
Trypanosoma brucei AMP deaminase, putative 0.0054 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.0054 0 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0054 0 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0166 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0166 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0166 1 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0054 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.0054 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.5169 0.5169
Trypanosoma cruzi AMP deaminase, putative 0.0054 0 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0054 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.5169 0.5169
Entamoeba histolytica adenosine deaminase, putative 0.0166 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0166 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.0166 1 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0054 0 0.5
Treponema pallidum adenosine deaminase 0.0166 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0166 1 0.5
Schistosoma mansoni adenosine deaminase 0.0166 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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