Detailed information for compound 417408

Basic information

Technical information
  • TDR Targets ID: 417408
  • Name: 5-(9-oxoxanthen-2-yl)oxypentanoic acid
  • MW: 312.317 | Formula: C18H16O5
  • H donors: 1 H acceptors: 3 LogP: 3.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCOc1ccc2c(c1)c(=O)c1c(o2)cccc1
  • InChi: 1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)
  • InChiKey: ZCUWRMCUAYZEHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(9-oxo-2-xanthenyl)oxy]pentanoic acid
  • 5-(9-ketoxanthen-2-yl)oxyvaleric acid

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
Onchocerca volvulus 0.0039 0.111 0.5
Echinococcus granulosus carboxylesterase 5A 0.023 1 1
Echinococcus granulosus Ankyrin 0.0015 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.023 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.023 1 1
Echinococcus multilocularis carboxylesterase 5A 0.023 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.111 0.111
Loa Loa (eye worm) carboxylesterase 0.0039 0.111 0.1104
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Brugia malayi hypothetical protein 0.0039 0.111 0.111
Schistosoma mansoni acetylcholinesterase 0.0039 0.111 0.111
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0039 0.111 0.5
Echinococcus granulosus acetylcholinesterase 0.023 1 1
Echinococcus multilocularis Ankyrin 0.0015 0.0006 0.0006
Loa Loa (eye worm) carboxylesterase 0.0039 0.111 0.1104
Schistosoma mansoni neuroligin 3 (S09 family) 0.0039 0.111 0.111
Brugia malayi Carboxylesterase family protein 0.0039 0.111 0.111
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0039 0.111 0.5
Loa Loa (eye worm) carboxylesterase 0.023 1 1
Echinococcus granulosus acetylcholinesterase 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Schistosoma mansoni BC026374 protein (S09 family) 0.0039 0.111 0.111
Onchocerca volvulus 0.0039 0.111 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0039 0.111 0.111
Echinococcus granulosus BC026374 protein S09 family 0.0039 0.111 0.111
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0039 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Onchocerca volvulus 0.0039 0.111 0.5
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.2878 0.2878
Brugia malayi Carboxylesterase family protein 0.0039 0.111 0.111
Echinococcus granulosus neuroligin 0.0039 0.111 0.111
Brugia malayi Carboxylesterase family protein 0.023 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.111 0.111
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0039 0.111 0.111
Echinococcus multilocularis acetylcholinesterase 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.111 0.1104
Trichomonas vaginalis spcc417.12 protein, putative 0.0039 0.111 0.5
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0006 0.0006
Brugia malayi Carboxylesterase family protein 0.0039 0.111 0.111
Mycobacterium ulcerans carboxylesterase, LipT 0.0039 0.111 0.5
Onchocerca volvulus 0.0039 0.111 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0039 0.111 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.2878 0.2878
Onchocerca volvulus 0.0039 0.111 0.5
Schistosoma mansoni gliotactin 0.0039 0.111 0.111
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0039 0.111 0.5
Echinococcus multilocularis acetylcholinesterase 0.023 1 1
Brugia malayi Carboxylesterase family protein 0.0039 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.023 1 1
Echinococcus multilocularis neuroligin 0.0039 0.111 0.111
Echinococcus multilocularis para nitrobenzyl esterase 0.0039 0.111 0.111
Echinococcus granulosus para nitrobenzyl esterase 0.0039 0.111 0.111

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1 mM Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay ChEMBL. 15566299
IC50 (binding) > 1 mM Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay ChEMBL. 15566299

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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