Detailed information for compound 1456257

Basic information

Technical information
  • TDR Targets ID: 1456257
  • Name: 3-[4-(phenylmethyl)piperazin-1-yl]-N-(2,4,6-t rimethylphenyl)propanamide
  • MW: 365.512 | Formula: C23H31N3O
  • H donors: 1 H acceptors: 1 LogP: 3.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1C)C)CCN1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C23H31N3O/c1-18-15-19(2)23(20(3)16-18)24-22(27)9-10-25-11-13-26(14-12-25)17-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)
  • InChiKey: CMKXBMUUTBVFEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-(phenylmethyl)-1-piperazinyl]-N-(2,4,6-trimethylphenyl)propanamide
  • 3-[4-(benzyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propionamide
  • 3-(4-benzyl-1-piperazinyl)-N-mesitylpropanamide
  • MLS001179308
  • SMR000476283
  • Oprea1_826388

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0463 0.4657 0.5
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0066 0.0273 0.0273
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0066 0.0273 0.5
Plasmodium falciparum ornithine aminotransferase 0.0066 0.0273 0.5
Mycobacterium ulcerans hypothetical protein 0.0463 0.4657 1
Echinococcus granulosus ornithine aminotransferase 0.0066 0.0273 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0066 0.0273 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0463 0.4657 1
Plasmodium vivax ornithine aminotransferase, putative 0.0066 0.0273 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0463 0.4657 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.021 0.021
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.021 0.021
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0066 0.0273 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0463 0.4657 1
Loa Loa (eye worm) hypothetical protein 0.006 0.021 0.021
Loa Loa (eye worm) pax transcription factor protein 2 0.0948 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.021 0.021
Echinococcus multilocularis Aminotransferase class III 0.0066 0.0273 0.5
Onchocerca volvulus 0.0948 1 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0066 0.0273 1
Echinococcus multilocularis ornithine aminotransferase 0.0066 0.0273 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0463 0.4657 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0066 0.0273 0.5
Echinococcus granulosus Aminotransferase class III 0.0066 0.0273 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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