Detailed information for compound 1475756

Basic information

Technical information
  • TDR Targets ID: 1475756
  • Name: 2-(2,5-dimethylpyridin-1-ium-1-yl)-1-(4-pheny lphenyl)ethanone
  • MW: 302.39 | Formula: C21H20NO+
  • H donors: 0 H acceptors: 1 LogP: 4.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc([n+](c1)CC(=O)c1ccc(cc1)c1ccccc1)C
  • InChi: 1S/C21H20NO/c1-16-8-9-17(2)22(14-16)15-21(23)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/q+1
  • InChiKey: PPKLOTWWCXPYGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,5-dimethyl-1-pyridin-1-iumyl)-1-(4-phenylphenyl)ethanone
  • ZINC04867243
  • 1-(2-Biphenyl-4-yl-2-oxo-ethyl)-2,5-dimethyl-pyridinium
  • BAS 01098292

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
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0029 0 0.5
Echinococcus multilocularis AMPK beta subunit 0.0058 0.0645 0.0645
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0029 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0029 0 0.5
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0029 0 0.5
Treponema pallidum hemolysin (tlyC) 0.0029 0 0.5
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0058 0.0645 1
Mycobacterium ulcerans transcriptional regulator 0.0029 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0031 0.004 0.004
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.0121 0.2076 0.2076
Schistosoma mansoni protein kinase subunit beta 0.0058 0.0645 0.0645
Schistosoma mansoni protein kinase subunit beta 0.0031 0.004 0.004
Treponema pallidum Mg2+ transport protein (mgtE) 0.0029 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.2076 0.2076
Mycobacterium leprae conserved hypothetical protein 0.0029 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0029 0 0.5
Echinococcus granulosus AMPK beta subunit 0.0058 0.0645 0.0645
Chlamydia trachomatis Mg++ transporter 0.0029 0 0.5
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0058 0.0645 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0029 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0029 0 0.5
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0029 0 0.5
Mycobacterium ulcerans cystathionine beta-synthase 0.0029 0 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0029 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0472 1 1
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0029 0 0.5
Plasmodium falciparum protein MAM3, putative 0.0029 0 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0472 1 1
Mycobacterium tuberculosis Conserved protein 0.0029 0 0.5
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0034 0.011 1
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0029 0 0.5
Leishmania major hypothetical protein, conserved 0.0058 0.0645 1
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0029 0 0.5
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0029 0 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0058 0.0645 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0031 0.004 0.004
Mycobacterium tuberculosis Conserved protein 0.0029 0 0.5
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0029 0 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0472 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0029 0 0.5
Onchocerca volvulus Alicorn homolog 0.005 0.0479 1
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0121 0.2076 0.2076
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0029 0 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0029 0 0.5
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0058 0.0645 0.0645
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0058 0.0645 0.0645
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0029 0 0.5
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0058 0.0645 0.0645
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0121 0.2076 0.2076
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0058 0.0645 0.0645
Chlamydia trachomatis CBS domain-containing protein 0.0029 0 0.5
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0029 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0029 0 0.5
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0029 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0121 0.2076 0.2076
Schistosoma mansoni protein kinase subunit gamma 0.0472 1 1
Loa Loa (eye worm) loechrig isoform VII 0.0472 1 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0443 0.934 0.934

Activities

No activities found for this compound.

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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