Detailed information for compound 283044

Basic information

Technical information
  • TDR Targets ID: 283044
  • Name: (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enyl idene]-3-oxocyclopentyl]hept-5-enoic acid
  • MW: 334.45 | Formula: C20H30O4
  • H donors: 2 H acceptors: 4 LogP: 3.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC/C=C/C=C\1/C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O
  • InChi: 1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
  • InChiKey: QUGBPWLPAUHDTI-PLGLXCLHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxo-cyclopentyl]hept-5-enoic acid
  • (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]-5-heptenoic acid
  • (Z)-7-[(1R,2E,5S)-5-hydroxy-3-keto-2-[(E)-oct-2-enylidene]cyclopentyl]hept-5-enoic acid
  • 15-deoxy-delta-12,14-PGD2
  • 9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid
  • LMFA03010051

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 Common central domain of tyrosinase family protein 0.0281 1 1
Onchocerca volvulus 0.0281 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0281 1 1
Schistosoma mansoni tyrosinase precursor 0.0281 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0134 0.2313 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0281 1 1
Loa Loa (eye worm) hypothetical protein 0.0281 1 1
Onchocerca volvulus 0.0281 1 1
Brugia malayi MH2 domain containing protein 0.0117 0.1458 0.1458
Loa Loa (eye worm) hypothetical protein 0.0281 1 1
Onchocerca volvulus 0.0281 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0281 1 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0281 1 1
Onchocerca volvulus 0.0281 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1458 0.1458
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1458 0.1458
Schistosoma mansoni lipoxygenase 0.0134 0.2313 0.2313
Loa Loa (eye worm) ShTK domain-containing protein 0.0281 1 1
Loa Loa (eye worm) tyrosinase 1 0.0281 1 1
Schistosoma mansoni tyrosinase precursor 0.0281 1 1
Schistosoma mansoni lipoxygenase 0.0094 0.0212 0.0212
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0281 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0134 0.2313 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 320 ng ml-1 In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma. ChEMBL. 6854581
IC50 (functional) = 320 ng ml-1 In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma. ChEMBL. 6854581
Ratio (functional) = 0 Hamster antifertility : No. of nonpregnant / No. of treated at 1000 microg; 0/6 ChEMBL. 6854581
Relative potency (functional) = 0.1 Relative potency with respect to PGE1 = 100 in rat blood pressure assay ChEMBL. 6854581
Relative potency (functional) < 0.1 Potency in gerbil colon stimulation assay compared to PGE1. ChEMBL. 6854581

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 6854581

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.

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