Detailed information for compound 1179064

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.338 | Formula: C17H20O5
  • H donors: 1 H acceptors: 3 LogP: 3.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCc1cc(=O)c2c(o1)cc(cc2CC(=O)OC)O
  • InChi: 1S/C17H20O5/c1-3-4-5-6-13-10-14(19)17-11(8-16(20)21-2)7-12(18)9-15(17)22-13/h7,9-10,18H,3-6,8H2,1-2H3
  • InChiKey: LHRHJRDQHAXPSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cytoplasmic intermediate filament protein 0.0123 0.2592 0.4297
Loa Loa (eye worm) hypothetical protein 0.0107 0.2134 0.3528
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0032 0.5
Echinococcus granulosus lamin 0.023 0.557 0.557
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0744 0.1284
Echinococcus granulosus lamin dm0 0.023 0.557 0.557
Echinococcus multilocularis musashi 0.023 0.557 0.5556
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.302 0.5015
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0123 0.2592 0.4297
Loa Loa (eye worm) hypothetical protein 0.0107 0.2134 0.3528
Loa Loa (eye worm) intermediate filament protein 0.023 0.557 0.9295
Echinococcus granulosus intermediate filament protein 0.023 0.557 0.557
Schistosoma mansoni tar DNA-binding protein 0.0138 0.302 0.5395
Brugia malayi intermediate filament protein 0.023 0.557 0.9295
Onchocerca volvulus 0.0057 0.0744 0.1171
Loa Loa (eye worm) TAR-binding protein 0.0138 0.302 0.5015
Brugia malayi MH2 domain containing protein 0.0245 0.599 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.5263 0.8779
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.302 0.5015
Echinococcus multilocularis lamin 0.023 0.557 0.5556
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.599 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.023 0.557 0.9295
Trichomonas vaginalis set domain proteins, putative 0.0249 0.6106 0.5
Schistosoma mansoni lamin 0.023 0.557 1
Echinococcus multilocularis lamin dm0 0.023 0.557 0.5556
Brugia malayi TAR-binding protein 0.0138 0.302 0.5015
Onchocerca volvulus 0.023 0.557 0.9117
Schistosoma mansoni tar DNA-binding protein 0.0138 0.302 0.5395
Onchocerca volvulus 0.0249 0.6106 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.302 0.5395
Echinococcus multilocularis tar DNA binding protein 0.0138 0.302 0.2998
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0225 0.5453 0.9098
Schistosoma mansoni tar DNA-binding protein 0.0138 0.302 0.5395
Schistosoma mansoni lamin 0.023 0.557 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2252 0.3725
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0111 0.2252 0.2227
Schistosoma mansoni intermediate filament proteins 0.023 0.557 1
Brugia malayi Pre-SET motif family protein 0.0219 0.5263 0.8779
Loa Loa (eye worm) hypothetical protein 0.023 0.557 0.9295
Loa Loa (eye worm) RNA binding protein 0.0138 0.302 0.5015
Schistosoma mansoni tar DNA-binding protein 0.0138 0.302 0.5395
Echinococcus granulosus tar DNA binding protein 0.0138 0.302 0.302
Loa Loa (eye worm) hypothetical protein 0.0057 0.0744 0.1194
Onchocerca volvulus 0.023 0.557 0.9117
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.599 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0032 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.023 0.557 0.9295
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0111 0.2252 0.2252
Brugia malayi RNA binding protein 0.0138 0.302 0.5015

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli MTCC 739 at 80 ug/ml by modified microtiter broth dilution method ChEMBL. 22677320
EC50 (functional) = 8.93 ug ml-1 Cytotoxicity against mouse L5178Y cells after 72 hrs by MTT assay ChEMBL. 19271764

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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