Detailed information for compound 212400

Basic information

Technical information
  • TDR Targets ID: 212400
  • Name: (E,7R,11R)-N-[(4-hydroxy-3-methoxyphenyl)meth yl]-3,7,11,15-tetramethylhexadec-2-enamide
  • MW: 445.678 | Formula: C28H47NO3
  • H donors: 2 H acceptors: 2 LogP: 9.24 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC(=O)/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)ccc1O
  • InChi: 1S/C28H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)18-28(31)29-20-25-16-17-26(30)27(19-25)32-6/h16-19,21-23,30H,7-15,20H2,1-6H3,(H,29,31)/b24-18+/t22-,23-/m1/s1
  • InChiKey: SRCYPPPJXGPXQE-AFBKPRHMSA-N  

Network

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Synonyms

  • (E,7R,11R)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,7,11,15-tetramethyl-hexadec-2-enamide
  • (E,7R,11R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3,7,11,15-tetramethyl-2-hexadecenamide
  • (E,7R,11R)-3,7,11,15-tetramethyl-N-vanillyl-hexadec-2-enamide
  • (E,7R,11R)-N-(4-hydroxy-3-methoxy-benzyl)-3,7,11,15-tetramethyl-hexadec-2-enamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References

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
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0079 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.5 0.5
Echinococcus granulosus protein MICAL 3 0.0079 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.5 0.5
Echinococcus multilocularis protein MICAL 3 0.0079 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0079 0.5 0.5
Trypanosoma brucei Monooxygenase, putative 0.0079 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0079 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0079 0.5 0.5
Trypanosoma cruzi Monooxygenase, putative 0.0079 0.5 0.5
Mycobacterium ulcerans oxidoreductase GMC-type 0.0079 0.5 0.5
Toxoplasma gondii FAD binding domain-containing protein 0.0079 0.5 0.5
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0079 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0079 0.5 0.5
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0079 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0079 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0079 0.5 0.5
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0079 0.5 0.5
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0079 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0079 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0079 0.5 0.5
Toxoplasma gondii FAD binding domain-containing protein 0.0079 0.5 0.5
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0079 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0079 0.5 0.5
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0079 0.5 0.5
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0079 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0079 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0079 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0079 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0079 0.5 0.5
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0079 0.5 0.5
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0079 0.5 0.5
Schistosoma mansoni monoxygenase 0.0079 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = -8.7 Concentration necessary to induce a relative half-maximal response measured by the entry of [Ca2+] into human embryonic kidney HEK-293 cells overexpressing the human VR1 ChEMBL. 12166946
Log EC50 (functional) = 8.7 Concentration necessary to induce a relative half-maximal response measured by the entry of [Ca2+] into human embryonic kidney HEK-293 cells overexpressing the human VR1 ChEMBL. 12166946
Response (functional) = 85 % Percent absolute effect obtained with ionomycin, measured by the entry of [Ca2+] into human embryonic kidney HEK-293 cells overexpressing hVR1 ChEMBL. 12166946
Response (functional) = 85 % Percent absolute effect obtained with ionomycin, measured by the entry of [Ca2+] into human embryonic kidney HEK-293 cells overexpressing hVR1 ChEMBL. 12166946

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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