Detailed information for compound 259471

Basic information

Technical information
  • TDR Targets ID: 259471
  • Name: 6-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-tri enyl]-5,6,7,8-tetrahydronaphthalen-2-ol
  • MW: 366.579 | Formula: C26H38O
  • H donors: 1 H acceptors: 1 LogP: 8.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\CCC1CCc2c(C1)ccc(c2)O)/CC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C26H38O/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-7-13-23-14-15-25-19-26(27)17-16-24(25)18-23/h8,10,12,16-17,19,23,27H,5-7,9,11,13-15,18H2,1-4H3/b21-10+,22-12+
  • InChiKey: HVCFPRYPNNIRLL-KZVLYIKRSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]tetralin-6-ol
  • 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-6-tetralinol

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 Dopamine receptor 0.0077 0.2652 0.4715
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.015 1 0.5
Brugia malayi thymidylate synthase 0.0107 0.5625 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0107 0.5625 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.015 1 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.015 1 1
Brugia malayi Melatonin receptor type 1A 0.0077 0.2652 0.4715
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0077 0.2652 0.4715
Brugia malayi ORL1-like opioid receptor 0.0077 0.2652 0.4715
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0107 0.5625 1
Mycobacterium ulcerans thymidylate synthase 0.0107 0.5625 0.5
Brugia malayi larval opioid receptor 0.0077 0.2652 0.4715
Brugia malayi G-protein coupled receptor 0.0077 0.2652 0.4715
Brugia malayi G-protein coupled receptor 0.0077 0.2652 0.4715
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0077 0.2652 0.4715
Loa Loa (eye worm) thymidylate synthase 0.0107 0.5625 1
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0077 0.2652 0.4715
Brugia malayi putative neuropeptide receptor 0.0077 0.2652 0.4715
Brugia malayi G protein-coupled receptor 0.0077 0.2652 0.4715
Brugia malayi GnHR receptor homolog 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi Serotonin receptor 0.0077 0.2652 0.4715
Brugia malayi sulfakinin receptor protein 0.0077 0.2652 0.4715
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.015 1 0.5
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Echinococcus granulosus thymidylate synthase 0.0107 0.5625 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0 0.5
Echinococcus multilocularis thymidylate synthase 0.0107 0.5625 1
Brugia malayi neuropeptide F receptor 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi Dopamine receptor protein 1 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi Dopamine receptor protein 2 0.0077 0.2652 0.4715
Brugia malayi putative neuropeptide receptor NPR1 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi G protein-coupled receptor F59B2.13 0.0077 0.2652 0.4715
Brugia malayi neuropeptide F receptor 0.0077 0.2652 0.4715
Brugia malayi Tachykinin-like peptides receptor 99D 0.0077 0.2652 0.4715
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.015 1 0.5
Onchocerca volvulus 0.0107 0.5625 1
Brugia malayi RE15519p 0.0077 0.2652 0.4715
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0077 0.2652 0.4715
Brugia malayi follicle stimulating hormone receptor 0.0077 0.2652 0.4715
Brugia malayi AKH receptor 0.0077 0.2652 0.4715
Brugia malayi Serotonin receptor 0.0077 0.2652 0.4715
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0107 0.5625 1
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715
Brugia malayi hypothetical protein 0.0077 0.2652 0.4715

Activities

Activity type Activity value Assay description Source Reference
HDL cholesterol (functional) = 94 mg 100ml-1 Hypocholesterolemic activity in 6-week old male mormocholesterolemic chickens using experiment 3 ChEMBL. 8120870
IC50 (functional) 0 uM LDL oxidation assay as spectrophotometric determination of TBARS; Not determined ChEMBL. 8120870
Inhibition (binding) % In vitro suppression of HMG-CoA reductase (HMGR) in Hep G2 cells; Not determined ChEMBL. 8120870
Inhibition (binding) 0 % In vitro suppression of HMG-CoA reductase (HMGR) in Hep G2 cells; Not determined ChEMBL. 8120870
Inhibition (functional) = 40 % In vitro inhibition of cholesterol biosynthesis in Hep G2 cells ChEMBL. 8120870
Inhibition (functional) = 40 % In vitro inhibition of cholesterol biosynthesis in Hep G2 cells ChEMBL. 8120870
LDL cholesterol (functional) = 57 mg 100ml-1 Hypocholesterolemic activity in 6-week old male mormocholesterolemic chickens using experiment 3 ChEMBL. 8120870
Potential (functional) 0 Oxidation potential using cyclic voltametry; Not determined ChEMBL. 8120870
Ratio (functional) = 0.62 Ratio of HDL/total cholesterol value ChEMBL. 8120870
Total cholesterol (functional) = 152 mg 100ml-1 Hypocholesterolemic activity in 6-week old male mormocholesterolemic chickens using experiment 3 ChEMBL. 8120870
Triglycerides (functional) = 76 mg 100ml-1 Hypocholesterolemic activity in 6-week old male mormocholesterolemic chickens using experiment 3 ChEMBL. 8120870

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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