Detailed information for compound 447272

Basic information

Technical information
  • TDR Targets ID: 447272
  • Name: (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octad ec-9-enamide
  • MW: 440.661 | Formula: C28H44N2O2
  • H donors: 3 H acceptors: 2 LogP: 8.75 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2c1cc(O)cc2
  • InChi: 1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h9-10,18-19,22-23,30-31H,2-8,11-17,20-21H2,1H3,(H,29,32)/b10-9-
  • InChiKey: LCQKHZYXPCLVBI-KTKRTIGZSA-N  

Network

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Synonyms

  • (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-octadecenamide

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
Loa Loa (eye worm) hypothetical protein 0.0805 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0805 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0224 0.1137 0.3169
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0384 0.3586 0.2764
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0805 1 1
Onchocerca volvulus 0.0224 0.1137 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0224 0.1137 0.3169
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0224 0.1137 0.3169
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0805 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0384 0.3586 0.4492
Leishmania major farnesyltransferase beta subunit 0.0384 0.3586 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0384 0.3586 0.2764
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0384 0.3586 0.2764
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0384 0.3586 0.2764
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0384 0.3586 0.2764
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0805 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.1137 0.3169
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0805 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0805 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0805 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.1137 0.3169
Trypanosoma cruzi protein farnesyltransferase, putative 0.0384 0.3586 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0805 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0224 0.1137 0.3169
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0224 0.1137 0.3169
Toxoplasma gondii hypothetical protein 0.0581 0.659 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0384 0.3586 0.2764
Giardia lamblia Prenyltransferase 0.0384 0.3586 0.2764
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0384 0.3586 0.2764
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0384 0.3586 0.2764
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0224 0.1137 0.3169
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0384 0.3586 0.2764
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0384 0.3586 0.2764
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0384 0.3586 0.2764
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0805 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0805 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0224 0.1137 0.3169
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0384 0.3586 0.2764
Trypanosoma cruzi protein farnesyltransferase, putative 0.0384 0.3586 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0581 0.659 0.6153
Plasmodium vivax conserved Plasmodium protein, unknown function 0.028 0.1997 0.097
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0384 0.3586 0.2764
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0384 0.3586 0.2764
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0149 0 0.5
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0384 0.3586 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0805 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.57 uM Antagonist activity at human recombinant TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium elevation ChEMBL. 18027904
IC50 (functional) = 2.57 uM Antagonist activity at human recombinant TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium elevation ChEMBL. 18027904
IC50 (binding) > 50 uM Inhibition of rat brain FAAH assessed by measuring [14C]anandamide hydrolysis after 30 mins ChEMBL. 18027904
IC50 (binding) > 50 uM Inhibition of rat brain FAAH assessed by measuring [14C]anandamide hydrolysis after 30 mins ChEMBL. 18027904

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.