Detailed information for compound 1530118

Basic information

Technical information
  • TDR Targets ID: 1530118
  • Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2 ,4,6-trimethylphenoxy)ethanone
  • MW: 335.439 | Formula: C22H25NO2
  • H donors: 0 H acceptors: 1 LogP: 4.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C)OCC(=O)N1CCC(=CC1)c1ccccc1
  • InChi: 1S/C22H25NO2/c1-16-13-17(2)22(18(3)14-16)25-15-21(24)23-11-9-20(10-12-23)19-7-5-4-6-8-19/h4-9,13-14H,10-12,15H2,1-3H3
  • InChiKey: VBQBIYHNCSXQRX-UHFFFAOYSA-N  

Network

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Synonyms

  • T5964822

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis divalent metal transporter DMT1B 0.058 1 0.5
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) 0.0359 0.3861 1
Plasmodium falciparum transporter, putative 0.058 1 0.5
Schistosoma mansoni divalent metal transporter DMT1B 0.058 1 0.5
Schistosoma mansoni divalent metal transporter DMT1B 0.058 1 0.5
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0222 0.0065 0.0065
Echinococcus granulosus divalent metal transporter DMT1B 0.058 1 0.5
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0222 0.0065 0.0065
Toxoplasma gondii divalent metal transporter, putative 0.058 1 0.5
Loa Loa (eye worm) hypothetical protein 0.058 1 0.5
Mycobacterium leprae possible membrane transport protein 0.0222 0.0065 0.0168
Plasmodium vivax metal transporter, putative 0.058 1 0.5
Onchocerca volvulus Protein Malvolio homolog 0.058 1 0.5
Loa Loa (eye worm) hypothetical protein 0.058 1 0.5
Mycobacterium ulcerans manganese transport protein MntH 0.058 1 1
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) 0.0359 0.3861 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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