Detailed information for compound 1156814

Basic information

Technical information
  • TDR Targets ID: 1156814
  • Name: 5-[(6-methylimidazo[3,2-a]pyridin-4-ium-1-yl) methyl]-3,3-di(phenyl)oxolan-2-one
  • MW: 383.462 | Formula: C25H23N2O2+
  • H donors: 0 H acceptors: 1 LogP: 5.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2[n+](c1)ccn2CC1OC(=O)C(C1)(c1ccccc1)c1ccccc1
  • InChi: 1S/C25H23N2O2/c1-19-12-13-23-26(17-19)14-15-27(23)18-22-16-25(24(28)29-22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17,22H,16,18H2,1H3/q+1
  • InChiKey: IOCLYBLXGUSCOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(6-methylimidazo[3,2-a]pyridin-4-ium-1-yl)methyl]-3,3-di(phenyl)tetrahydrofuran-2-one
  • 5-[(6-methyl-1-imidazo[3,2-a]pyridin-4-iumyl)methyl]-3,3-di(phenyl)-2-tetrahydrofuranone

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) transcription factor SMAD2 0.0137 0.1443 0.3561
Echinococcus granulosus intermediate filament protein 0.0058 0.041 0.0392
Plasmodium falciparum flap endonuclease 1 0.0029 0.0037 0.5
Loa Loa (eye worm) glutaminase 2 0.0308 0.3671 0.908
Plasmodium vivax SET domain protein, putative 0.0032 0.0069 1
Echinococcus granulosus flap endonuclease 1 0.0029 0.0037 0.0018
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.041 0.1003
Brugia malayi intermediate filament protein 0.0058 0.041 0.0931
Brugia malayi HSF-type DNA-binding domain containing protein 0.0112 0.1111 0.2682
Schistosoma mansoni microtubule-associated protein tau 0.0794 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0342 0.0836
Entamoeba histolytica heat shock transcription factor, putative 0.0112 0.1111 1
Echinococcus granulosus lamin 0.0058 0.041 0.0392
Brugia malayi glutaminase DH11.1 0.0308 0.3671 0.9073
Brugia malayi Pre-SET motif family protein 0.0032 0.0069 0.008
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0069 0.0069
Echinococcus multilocularis lamin dm0 0.0058 0.041 0.0392
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0037 0.0079
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0034
Loa Loa (eye worm) hypothetical protein 0.0058 0.041 0.1003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0069 0.0069
Brugia malayi hypothetical protein 0.0163 0.1778 0.4345
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0112 0.1111 0.3626
Brugia malayi RNA recognition motif domain containing protein 0.0337 0.4043 1
Echinococcus multilocularis lamin 0.0058 0.041 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4043 0.4043
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.1443 0.3561
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4043 0.4043
Schistosoma mansoni lamin 0.0058 0.041 0.041
Schistosoma mansoni hypothetical protein 0.0036 0.0125 0.0125
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0069 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0069 0.0069
Brugia malayi TAR-binding protein 0.0337 0.4043 1
Loa Loa (eye worm) glutaminase 0.0308 0.3671 0.908
Entamoeba histolytica heat shock transcription factor, putative 0.0112 0.1111 1
Entamoeba histolytica heat shock transcription factor, putative 0.0112 0.1111 1
Loa Loa (eye worm) intermediate filament protein 0.0058 0.041 0.1003
Loa Loa (eye worm) TAR-binding protein 0.0337 0.4043 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.2545 0.629
Loa Loa (eye worm) hypothetical protein 0.0163 0.1778 0.439
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0037 0.0018
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0037 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0069 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0037 0.5
Echinococcus granulosus lamin dm0 0.0058 0.041 0.0392
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0125 0.0219
Brugia malayi MH2 domain containing protein 0.0137 0.1443 0.351
Echinococcus multilocularis musashi 0.0058 0.041 0.0392
Onchocerca volvulus 0.0058 0.041 0.1186
Onchocerca volvulus 0.0253 0.2944 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0037 0.5
Schistosoma mansoni glutaminase 0.0308 0.3671 0.3671
Echinococcus multilocularis tar DNA binding protein 0.0337 0.4043 0.4032
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0069 0.0069
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0342 0.0763
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.041 0.0931
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0296
Loa Loa (eye worm) hypothetical protein 0.0032 0.0069 0.0158
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0053 0.0035
Echinococcus granulosus tar DNA binding protein 0.0337 0.4043 0.4032
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4043 0.4043
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0069 0.005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0342 0.0763
Brugia malayi Pre-SET motif family protein 0.0222 0.2545 0.626
Trichomonas vaginalis set domain proteins, putative 0.0253 0.2944 0.7998
Onchocerca volvulus 0.0163 0.1778 0.5944
Brugia malayi RNA binding protein 0.0337 0.4043 1
Trichomonas vaginalis glutaminase, putative 0.0308 0.3671 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0059 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4043 0.4043
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0337 0.4043 1
Echinococcus multilocularis microtubule associated protein 2 0.0794 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0342 0.0836
Schistosoma mansoni intermediate filament proteins 0.0058 0.041 0.041
Loa Loa (eye worm) hypothetical protein 0.0057 0.0396 0.0968
Schistosoma mansoni lamin 0.0058 0.041 0.041
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4043 0.4043
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0059 0.0055
Onchocerca volvulus 0.0058 0.041 0.1186
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0069 0.005
Loa Loa (eye worm) RNA binding protein 0.0337 0.4043 1
Mycobacterium ulcerans glutaminase 0.0308 0.3671 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.1111 0.274
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0037 0.5

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.

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