Detailed information for compound 283547

Basic information

Technical information
  • TDR Targets ID: 283547
  • Name: (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(3S)-3-hydroxy octylidene]-3-oxocyclopentyl]hept-5-enoic aci d
  • MW: 352.465 | Formula: C20H32O5
  • H donors: 3 H acceptors: 5 LogP: 2.71 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC[C@@H](C/C=C\1/C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O
  • InChi: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,13,15-16,18,21-22H,2-3,5-6,8-12,14H2,1H3,(H,24,25)/b7-4-,17-13+/t15-,16+,18-/m0/s1
  • InChiKey: OBTVQKDILGZFPY-WBYUMCMISA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(3S)-3-hydroxyoctylidene]-3-oxo-cyclopentyl]hept-5-enoic acid
  • (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]-5-heptenoic acid
  • (Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(3S)-3-hydroxyoctylidene]-3-keto-cyclopentyl]hept-5-enoic acid
  • 64072-89-5
  • (5Z,9-alpha,12E,15S)-9,15-Dihydroxy-11-oxoprosta-5,12-dien-1-oic acid
  • BRN 6071542
  • Prosta-5,12-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,12E,15S)-
  • delta(sup 12)-PGD2
  • delta(sup 12)-Prostaglandin D2
  • 9S,15S-dihydroxy-11-oxo-5Z,12E-prostadienoic acid
  • LMFA03010101

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 bZIP transcription factor family protein 0.0241 0.7851 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0298 1 1
Onchocerca volvulus 0.0189 0.5921 0.5
Echinococcus multilocularis Ankyrin 0.0031 0.0004 0.0004
Schistosoma mansoni jun-related protein 0.0196 0.6167 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0241 0.7851 0.7851
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0241 0.7851 0.7851
Brugia malayi hypothetical protein 0.0189 0.5921 0.7541
Echinococcus granulosus jun protein 0.0241 0.7851 0.7851
Echinococcus granulosus Ankyrin 0.0031 0.0004 0.0004
Echinococcus multilocularis jun protein 0.0241 0.7851 0.7851
Schistosoma mansoni hypothetical protein 0.0196 0.6167 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.7605 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0031 0.0004 0.0007

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 100 ng ml-1 In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma. ChEMBL. 6854581
IC50 (functional) = 100 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; 3/6 ChEMBL. 6854581
Relative potency (functional) = 1 Potency in gerbil colon stimulation assay compared to PGE1. ChEMBL. 6854581
Relative potency (functional) = 10 Relative potency with respect to PGE1 = 100 in rat blood pressure assay 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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