Detailed information for compound 287090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.444 | Formula: C24H24O6
  • H donors: 1 H acceptors: 3 LogP: 4.77 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(OCc2ccc(cc2OC)C(=O)O)ccc2c1oc(=O)cc2/C=C/C
  • InChi: 1S/C24H24O6/c1-4-6-15-13-22(25)30-23-18(15)10-11-20(19(23)7-5-2)29-14-17-9-8-16(24(26)27)12-21(17)28-3/h4,6,8-13H,5,7,14H2,1-3H3,(H,26,27)/b6-4+
  • InChiKey: STGVYIUCXYJOMF-GQCTYLIASA-N  

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
Schistosoma mansoni acetylcholinesterase 0.0013 0.0128 0.0128
Schistosoma mansoni neuroligin 3 (S09 family) 0.0013 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Onchocerca volvulus 0.0013 0.0128 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.0894 0.0894
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Mycobacterium ulcerans glutaminase 0.0267 0.9798 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0894 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Echinococcus multilocularis acetylcholinesterase 0.0079 0.2646 0.2646
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Echinococcus multilocularis neuroligin 0.0013 0.0128 0.0128
Schistosoma mansoni glutaminase 0.0267 0.9798 0.9798
Trichomonas vaginalis glutaminase, putative 0.0267 0.9798 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0013 0.0128 0.0128
Echinococcus granulosus neuroligin 0.0013 0.0128 0.0128
Brugia malayi Carboxylesterase family protein 0.0013 0.0128 0.0131
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0013 0.0128 0.0128
Schistosoma mansoni biogenic amine (5HT) receptor 0.0272 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0079 0.2646 0.2646
Loa Loa (eye worm) carboxylesterase 0.0079 0.2646 0.2646
Echinococcus granulosus BC026374 protein S09 family 0.0013 0.0128 0.0128
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0894 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0013 0.0128 0.0128
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0013 0.0128 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0894 0.5
Brugia malayi Augmenter of liver regeneration 0.0034 0.0894 0.0912
Brugia malayi hypothetical protein 0.0013 0.0128 0.0131
Echinococcus multilocularis para nitrobenzyl esterase 0.0013 0.0128 0.0128
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0894 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4063 0.4063
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.0894 0.0894
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0013 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0272 1 1
Onchocerca volvulus 0.0013 0.0128 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0013 0.0128 0.5
Brugia malayi Carboxylesterase family protein 0.0013 0.0128 0.0131
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Onchocerca volvulus 0.0013 0.0128 1
Brugia malayi MH2 domain containing protein 0.0117 0.4063 0.4147
Loa Loa (eye worm) hypothetical protein 0.0079 0.2646 0.2646
Onchocerca volvulus 0.0013 0.0128 1
Brugia malayi Carboxylesterase family protein 0.0013 0.0128 0.0131
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0894 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0128 0.0128
Loa Loa (eye worm) glutaminase 2 0.0267 0.9798 0.9798
Echinococcus granulosus acetylcholinesterase 0.0079 0.2646 0.2646
Brugia malayi Carboxylesterase family protein 0.0079 0.2646 0.27
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0894 0.5
Onchocerca volvulus 0.0013 0.0128 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0013 0.0128 0.0128
Echinococcus multilocularis serotonin receptor 0.0272 1 1
Brugia malayi glutaminase DH11.1 0.0267 0.9798 1
Loa Loa (eye worm) hypothetical protein 0.0272 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0013 0.0128 0.0128
Loa Loa (eye worm) acetylcholinesterase 1 0.0079 0.2646 0.2646
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0013 0.0128 0.0128
Loa Loa (eye worm) glutaminase 0.0267 0.9798 0.9798
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0894 0.5
Loa Loa (eye worm) carboxylesterase 0.0013 0.0128 0.0128
Echinococcus multilocularis serotonin receptor 0.0272 1 1
Brugia malayi Carboxylesterase family protein 0.0013 0.0128 0.0131
Echinococcus multilocularis acetylcholinesterase 0.0079 0.2646 0.2646
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0894 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0013 0.0128 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.2646 0.2646
Echinococcus granulosus acetylcholinesterase 0.0079 0.2646 0.2646
Loa Loa (eye worm) carboxylesterase 0.0013 0.0128 0.0128
Schistosoma mansoni gliotactin 0.0013 0.0128 0.0128
Echinococcus granulosus carboxylesterase 5A 0.0079 0.2646 0.2646
Leishmania major hypothetical protein, conserved 0.0034 0.0894 0.5
Brugia malayi Carboxylesterase family protein 0.0079 0.2646 0.27
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.0894 0.0894
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0079 0.2646 0.2646
Echinococcus multilocularis BC026374 protein (S09 family) 0.0013 0.0128 0.0128
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4063 0.4063

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 21 % Percent inhibition of the leukotriene E4 (LTE4)-induced contraction of guinea pig tracheal spirals at 10 microM concentration ChEMBL. 2704027

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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