Detailed information for compound 31813

Basic information

Technical information
  • TDR Targets ID: 31813
  • Name: [4-(2-methoxyphenyl)-5-pentyl-2,6-di(propan-2 -yl)pyridin-3-yl]methanol
  • MW: 369.54 | Formula: C24H35NO2
  • H donors: 1 H acceptors: 2 LogP: 6.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCc1c(nc(c(c1c1ccccc1OC)CO)C(C)C)C(C)C
  • InChi: 1S/C24H35NO2/c1-7-8-9-13-19-22(18-12-10-11-14-21(18)27-6)20(15-26)24(17(4)5)25-23(19)16(2)3/h10-12,14,16-17,26H,7-9,13,15H2,1-6H3
  • InChiKey: OZMDDOGXGZKKCP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [2,6-diisopropyl-4-(2-methoxyphenyl)-5-pentyl-3-pyridyl]methanol
  • [5-amyl-2,6-diisopropyl-4-(2-methoxyphenyl)-3-pyridyl]methanol

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
Loa Loa (eye worm) hypothetical protein 0.0053 0.1762 0.1762
Toxoplasma gondii serine/threonine-protein phosphatase PP2A catalytic subunit 0.0053 0.1762 1
Echinococcus granulosus protein phosphatase 1b 0.0092 0.344 0.344
Toxoplasma gondii serine/threonine-protein phosphatase 2A catalytic subunit beta isoform, putative 0.0053 0.1762 1
Trypanosoma brucei Serine/threonine-protein phosphatase 2A, putative 0.0053 0.1762 0.1762
Echinococcus granulosus serine:threonine protein phosphatase 2A 0.0053 0.1762 0.1762
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.0244 1 1
Brugia malayi type 2A protein phosphatase catalytic subunit 0.0053 0.1762 0.1762
Echinococcus granulosus protein phosphatase 1b 0.008 0.294 0.294
Leishmania major hypothetical protein, conserved 0.0244 1 1
Brugia malayi Ser/Thr protein phosphatase family protein 0.0053 0.1762 0.1762
Schistosoma mansoni protein phsophatase-2a 0.0053 0.1762 0.1762
Brugia malayi Protein phosphatase 2C containing protein 0.0092 0.344 0.344
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.0244 1 1
Loa Loa (eye worm) LEThal family member 0.0053 0.1762 0.1762
Trypanosoma cruzi hypothetical protein, conserved 0.0244 1 1
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.0244 1 1
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0244 1 1
Echinococcus multilocularis protein phosphatase 1b 0.0092 0.344 0.344
Trypanosoma cruzi serine/threonine-protein phosphatase 0.0053 0.1762 0.1762
Brugia malayi protein phosphatase 2A. 0.0053 0.1762 0.1762
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.0244 1 1
Plasmodium vivax protein phosphatase-beta, putative 0.0053 0.1762 1
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.0092 0.344 0.344
Trypanosoma brucei hypothetical protein, conserved 0.0244 1 1
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.0244 1 1
Echinococcus multilocularis protein phosphatase 1b 0.008 0.294 0.294
Plasmodium falciparum protein phosphatase-beta 0.0053 0.1762 1
Giardia lamblia Ser/Thr phosphatase PP2A-2 catalytic subunit 0.0053 0.1762 0.1762
Schistosoma mansoni protein phosphatase 2C 0.008 0.294 0.294
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.0244 1 1
Entamoeba histolytica serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, putative 0.0053 0.1762 0.1762
Schistosoma mansoni protein phosphatase 2C 0.008 0.294 0.294
Leishmania major serine/threonine protein phosphatase, putative 0.0053 0.1762 0.1762
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.0244 1 1
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.0244 1 1
Trypanosoma cruzi serine/threonine-protein phosphatase 0.0053 0.1762 0.1762
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.0244 1 1
Schistosoma mansoni protein phosphatase 2C 0.0092 0.344 0.344
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.0244 1 1
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0244 1 1
Trichomonas vaginalis protein phosphatase-1, putative 0.0053 0.1762 0.1762
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.0244 1 1
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.0244 1 1
Echinococcus multilocularis serine:threonine protein phosphatase 2A 0.0053 0.1762 0.1762
Trypanosoma cruzi hypothetical protein, conserved 0.0244 1 1
Loa Loa (eye worm) type 2A protein phosphatase catalytic subunit 0.0053 0.1762 0.1762

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 27 % Percentage inhibition of human glucagon receptor function expressed in CHO cells at a concentration of 20 uM. ChEMBL. 11965376
Inhibition (binding) = 27 % Percentage inhibition of human glucagon receptor function expressed in CHO cells at a concentration of 20 uM. ChEMBL. 11965376

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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