Detailed information for compound 153363

Basic information

Technical information
  • TDR Targets ID: 153363
  • Name: 2-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-di hydrochromen-6-ol
  • MW: 250.333 | Formula: C15H22O3
  • H donors: 2 H acceptors: 2 LogP: 2.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C
  • InChi: 1S/C15H22O3/c1-9-10(2)14-12(11(3)13(9)17)5-6-15(4,18-14)7-8-16/h16-17H,5-8H2,1-4H3
  • InChiKey: RUYZTDOMKYWHFC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2-hydroxyethyl)-2,5,7,8-tetramethyl-chroman-6-ol
  • 2-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
  • 2-(2-hydroxyethyl)-2,5,7,8-tetramethylchroman-6-ol
  • 2-(2-hydroxyethyl)-2,5,7,8-tetramethyl-6-chromanol

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 Lanosterol 14-alpha demethylase 0.0008 0 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0048 0.1451 0.1451
Onchocerca volvulus 0.0048 0.1451 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0287 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0287 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0048 0.1451 0.5
Loa Loa (eye worm) hypothetical protein 0.0287 1 1
Leishmania major cytochrome p450-like protein 0.0008 0 0.5
Onchocerca volvulus 0.0048 0.1451 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0008 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.1451 0.1451
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0048 0.1451 0.1451
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0287 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0008 0 0.5
Echinococcus granulosus neuroligin 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Loa Loa (eye worm) carboxylesterase 0.0048 0.1451 0.1451
Echinococcus multilocularis neuroligin 0.0048 0.1451 0.1451
Echinococcus multilocularis acetylcholinesterase 0.0287 1 1
Brugia malayi Carboxylesterase family protein 0.0048 0.1451 0.1451
Echinococcus granulosus BC026374 protein S09 family 0.0048 0.1451 0.1451
Loa Loa (eye worm) carboxylesterase 0.0048 0.1451 0.1451
Loa Loa (eye worm) carboxylesterase 0.0287 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0048 0.1451 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0048 0.1451 1
Trypanosoma cruzi cytochrome P450, putative 0.0008 0 0.5
Schistosoma mansoni acetylcholinesterase 0.0048 0.1451 0.1451
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0008 0 0.5
Schistosoma mansoni gliotactin 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Brugia malayi Carboxylesterase family protein 0.0048 0.1451 0.1451
Echinococcus granulosus para nitrobenzyl esterase 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Onchocerca volvulus 0.0048 0.1451 0.5
Trypanosoma brucei cytochrome P450, putative 0.0008 0 0.5
Leishmania major cytochrome p450-like protein 0.0008 0 0.5
Brugia malayi hypothetical protein 0.0048 0.1451 0.1451
Brugia malayi Carboxylesterase family protein 0.0287 1 1
Echinococcus granulosus acetylcholinesterase 0.0287 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0048 0.1451 0.1451
Echinococcus multilocularis BC026374 protein (S09 family) 0.0048 0.1451 0.1451
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0008 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Loa Loa (eye worm) acetylcholinesterase 1 0.0287 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0048 0.1451 0.1451
Echinococcus multilocularis acetylcholinesterase 0.0287 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0048 0.1451 0.1451
Echinococcus granulosus carboxylesterase 5A 0.0287 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.1451 0.1451
Mycobacterium leprae Conserved hypothetical protein 0.0008 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0008 0 0.5
Brugia malayi Carboxylesterase family protein 0.0048 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0048 0.1451 0.1451
Onchocerca volvulus 0.0048 0.1451 0.5
Mycobacterium leprae putative cytochrome p450 0.0008 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.1451 1
Brugia malayi Carboxylesterase family protein 0.0048 0.1451 0.1451
Onchocerca volvulus 0.0048 0.1451 0.5
Echinococcus granulosus acetylcholinesterase 0.0287 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.1451 1
Leishmania major cytochrome p450-like protein 0.0008 0 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0048 0.1451 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0008 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.82 ug Inhibition of [Fe2+]/ascorbate-induced oxidation of bovine heart membranes(antioxidant BHMLO) ChEMBL. 9925732
Inhibition (functional) = 30 % Compound was evaluated for in vitro inhibition of proliferation measured by inhibition of [3H]-thymidine incorporation by HMVEC-L cells ChEMBL. 9925732

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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