Detailed information for compound 408681

Basic information

Technical information
  • TDR Targets ID: 408681
  • Name: 2-[5-methoxy-2-methyl-1-(1-methylpiperidin-4- yl)indol-3-yl]acetic acid
  • MW: 316.395 | Formula: C18H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(CC(=O)O)c(n2C1CCN(CC1)C)C
  • InChi: 1S/C18H24N2O3/c1-12-15(11-18(21)22)16-10-14(23-3)4-5-17(16)20(12)13-6-8-19(2)9-7-13/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,22)
  • InChiKey: IOZBTRWZQXAOSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[5-methoxy-2-methyl-1-(1-methyl-4-piperidyl)indol-3-yl]acetic acid
  • 2-[5-methoxy-2-methyl-1-(1-methyl-4-piperidinyl)-3-indolyl]acetic acid
  • 2-[5-methoxy-2-methyl-1-(1-methylpiperidin-4-yl)indol-3-yl]ethanoic acid

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 0.0702 0.5 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0702 0.5 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0702 0.5 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0702 0.5 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0702 0.5 0.5
Plasmodium vivax RNA helicase-1, putative 0.0702 0.5 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0702 0.5 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0702 0.5 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0702 0.5 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0702 0.5 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0702 0.5 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0702 0.5 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0702 0.5 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0702 0.5 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0702 0.5 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0702 0.5 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0702 0.5 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0702 0.5 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0702 0.5 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0702 0.5 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0702 0.5 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0702 0.5 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0702 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Analgesic activity in mouse by formalin paw licking assay at 0-15 mins ChEMBL. 17181159
Activity (functional) Analgesic activity in mouse by formalin paw licking assay at 15-45 mins ChEMBL. 17181159
Activity (functional) Antiinflammatory activity in carrageenin-induced mouse paw edema ChEMBL. 17181159
Activity (functional) Analgesic activity in Swiss mouse by acetic acid-induced writhing test ChEMBL. 17181159
Activity (binding) 0 Activity at COX1 assessed as inhibition of arachidonic acid-induced PGE2 production in J774 cells ChEMBL. 17181159
Activity (functional) 0 Antiinflammatory activity in carrageenin-induced mouse paw edema ChEMBL. 17181159
Activity (functional) 0 Gastric damage in rat at 100 mg/kg, po by GI damage assay ChEMBL. 17181159
Activity (functional) 0 Analgesic activity in mouse by formalin paw licking assay at 0-15 mins ChEMBL. 17181159
Activity (functional) 0 Analgesic activity in mouse by formalin paw licking assay at 15-45 mins ChEMBL. 17181159
Activity (functional) 0 Analgesic activity in Swiss mouse by acetic acid-induced writhing test ChEMBL. 17181159
Inhibition (binding) Inhibition of COX2-mediated PGH2 production at 50 nM by enzyme immunoassay ChEMBL. 19540763
Inhibition (binding) Inhibition of COX1-mediated PGH2 production at 50 nM by enzyme immunoassay ChEMBL. 19540763
Inhibition (functional) = 0 % Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated muscle contraction ChEMBL. 19540763
Inhibition (functional) = 2.8 % Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction ChEMBL. 19540763
Inhibition (binding) = 57 % Activity at COX1 assessed as inhibition of arachidonic acid-induced PGE2 production in J774 cells at 10 uM ChEMBL. 17181159
Inhibition (binding) = 57 % Activity at COX1 assessed as inhibition of arachidonic acid-induced PGE2 production in J774 cells at 10 uM ChEMBL. 17181159
Inhibition (binding) = 64 % Activity at COX1 assessed as inhibition of arachidonic acid-induced PGE2 production in J774 cells at 100 uM ChEMBL. 17181159
Inhibition (binding) = 64 % Activity at COX1 assessed as inhibition of arachidonic acid-induced PGE2 production in J774 cells at 100 uM ChEMBL. 17181159

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

2 literature references were collected for this gene.

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