Detailed information for compound 952762

Basic information

Technical information
  • TDR Targets ID: 952762
  • Name: (3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[d]fu ran-2-one
  • MW: 124.137 | Formula: C7H8O2
  • H donors: 0 H acceptors: 1 LogP: 0.84 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[C@H]2[C@@H](C1)C=CC2
  • InChi: 1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
  • InChiKey: RYBPGUMSFWGGLP-PHDIDXHHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 54483-22-6
  • ZINC00391836

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
Trypanosoma brucei Aminopeptidase M1, putative 0.0214 0.2446 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0075 0.0403 0.0403
Toxoplasma gondii aminopeptidase n, putative 0.0075 0.0403 0.5
Trichomonas vaginalis set domain proteins, putative 0.024 0.2833 1
Onchocerca volvulus 0.0214 0.2446 0.2129
Loa Loa (eye worm) aminopeptidase N 0.0214 0.2446 0.2751
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0075 0.0403 0.1647
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0075 0.0403 0.5
Entamoeba histolytica aminopeptidase, putative 0.0214 0.2446 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0214 0.2446 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0139 0.1338 0.1338
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Echinococcus granulosus leukotriene A 4 hydrolase 0.0075 0.0403 0.0403
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0214 0.2446 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0403 0.0453
Loa Loa (eye worm) hypothetical protein 0.0075 0.0403 0.0453
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0214 0.2446 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0214 0.2446 1
Onchocerca volvulus 0.0727 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0214 0.2446 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0075 0.0403 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0588 0.7957 0.8948
Toxoplasma gondii aminopeptidase N protein 0.0075 0.0403 0.5
Brugia malayi Pre-SET motif family protein 0.0211 0.2404 0.2404
Trypanosoma cruzi Aminopeptidase M1, putative 0.0214 0.2446 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0214 0.2446 0.8407
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0075 0.0403 0.0403
Brugia malayi hypothetical protein 0.0214 0.2446 0.2446
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0214 0.2446 0.8407
Loa Loa (eye worm) hypothetical protein 0.0652 0.8892 1
Brugia malayi Peptidase family M1 containing protein 0.0075 0.0403 0.0403
Echinococcus multilocularis aminopeptidase N 0.0727 1 1
Onchocerca volvulus 0.024 0.2833 0.2532
Toxoplasma gondii aminopeptidase N, putative 0.0075 0.0403 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Loa Loa (eye worm) hypothetical protein 0.0075 0.0403 0.0453
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0214 0.2446 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0214 0.2446 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0214 0.2446 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0139 0.1338 0.5471
Loa Loa (eye worm) TATA binding protein associated factor 0.0075 0.0403 0.0453
Trypanosoma cruzi aminopeptidase, putative 0.0214 0.2446 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.2404 0.2703
Echinococcus granulosus aminopeptidase N 0.0727 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0075 0.0403 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0139 0.1338 0.4578
Brugia malayi Peptidase family M1 containing protein 0.0214 0.2446 0.2446
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0214 0.2446 0.2446
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0075 0.0403 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.1338 0.1505
Schistosoma mansoni aminopeptidase A (M01 family) 0.0075 0.0403 0.1647
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0075 0.0403 0.0403
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0075 0.0403 0.1647
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0214 0.2446 0.2446
Loa Loa (eye worm) hypothetical protein 0.0139 0.1338 0.1505
Brugia malayi hypothetical protein 0.0075 0.0403 0.0403
Brugia malayi TATA binding protein associated factor 0.0075 0.0403 0.0403
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0075 0.0403 0.0453
Loa Loa (eye worm) hypothetical protein 0.0513 0.6849 0.7702

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.83 umol/min/mg Activity at human recombinant PON1 assessed as hydrolysis of lactone ring at 1 mM by Ellman's method ChEMBL. 18572410

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.

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