Detailed information for compound 1083834

Basic information

Technical information
  • TDR Targets ID: 1083834
  • Name: 2-[2-(4-fluorophenyl)ethenyl]-1-methylquinoli n-1-ium
  • MW: 264.317 | Formula: C18H15FN+
  • H donors: 0 H acceptors: 0 LogP: 4.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C=Cc1ccc2c([n+]1C)cccc2
  • InChi: 1S/C18H15FN/c1-20-17(12-8-14-6-10-16(19)11-7-14)13-9-15-4-2-3-5-18(15)20/h2-13H,1H3/q+1
  • InChiKey: JIQUVNFLHUAJFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(4-fluorophenyl)vinyl]-1-methyl-quinolin-1-ium
  • 2-[2-(4-fluorophenyl)vinyl]-1-methylquinolin-1-ium
  • 2-[2-(4-fluorophenyl)ethenyl]-1-methyl-quinolin-1-ium

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
Brugia malayi nuclear receptor NHR-67 0.1089 0.4642 0.4642
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.122 0.5216 0.5216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.2309 1 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.002 0.002
Brugia malayi nuclear hormone receptor 0.2309 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0139 1
Echinococcus multilocularis geminin 0.0179 0.0643 0.0643
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.002 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.007 0.0165 0.0165
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.2309 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.1089 0.4642 0.4642
Schistosoma mansoni hypothetical protein 0.0179 0.0643 0.0643
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0416 0.0416
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.002 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0308 0.0308
Trichomonas vaginalis esterase, putative 0.0037 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.2309 1 1
Brugia malayi conserved hypotetical protein 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Schistosoma mansoni RAR-like nuclear receptor 0.2309 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.2309 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.002 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.122 0.5216 0.5216
Mycobacterium leprae Probable lipase LipE 0.0037 0.002 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0139 0.0139
Brugia malayi nuclear hormone receptor family member nhr-6 0.1089 0.4642 0.4642
Brugia malayi MH2 domain containing protein 0.0144 0.0491 0.0491
Brugia malayi Nuclear hormone receptor family member nhr-31 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Brugia malayi nuclear receptor NHR-88 0.2309 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.2309 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.2309 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.2309 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.0043 0.0048 0.0048
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0048 0.0048
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.002 0.002
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.2309 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.002 0.5
Echinococcus multilocularis lamin dm0 0.0059 0.0115 0.0115
Brugia malayi follicle stimulating hormone receptor 0.0249 0.095 0.095
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.1089 0.4642 0.4642
Onchocerca volvulus Protein ultraspiracle homolog 0.2309 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.122 0.5216 0.5216
Echinococcus multilocularis thyroid hormone receptor alpha 0.2309 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0165 0.0165
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.122 0.5216 0.5216
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.122 0.5216 0.5216
Brugia malayi Nuclear hormone receptor-like 1 0.122 0.5216 0.5216
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0856 0.3618 0.3618
Schistosoma mansoni retinoid-x-receptor (RXR) 0.2309 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-25 0.2309 1 1
Schistosoma mansoni thyroid hormone receptor 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Onchocerca volvulus 0.0059 0.0115 0.0096
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.1089 0.4642 0.4642
Loa Loa (eye worm) nuclear receptor NHR-67 0.1089 0.4642 0.4642
Schistosoma mansoni hypothetical protein 0.007 0.0165 0.0165
Brugia malayi TAR-binding protein 0.0127 0.0416 0.0416
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.002 0.002
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0048 0.0048
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.1089 0.4642 0.4631
Schistosoma mansoni steroid hormone receptor ad4bp 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Schistosoma mansoni zinc finger protein 0.1089 0.4642 0.4642
Brugia malayi hypothetical protein 0.0043 0.0048 0.0048
Entamoeba histolytica hypothetical protein 0.0043 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0058 0.0111 0.0111
Brugia malayi beta-lactamase 0.0037 0.002 0.002
Onchocerca volvulus 0.0307 0.1205 0.1187
Onchocerca volvulus Bile acid receptor homolog 0.2309 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0048 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Echinococcus granulosus FTZ F1 alpha 0.2309 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.2309 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0307 0.1205 0.1205
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0139 0.1365
Schistosoma mansoni lamin 0.0059 0.0115 0.0115
Onchocerca volvulus 0.1089 0.4642 0.4631
Echinococcus multilocularis musashi 0.0059 0.0115 0.0115
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.2309 1 1
Echinococcus granulosus intermediate filament protein 0.0059 0.0115 0.0115
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.002 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.1089 0.4642 0.4642
Onchocerca volvulus 0.2309 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.122 0.5216 0.5216
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.2309 1 1
Schistosoma mansoni coup transcription factor 0.2309 1 1
Brugia malayi Nuclear hormone receptor E75 0.1089 0.4642 0.4642
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.2309 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.1089 0.4642 0.4642
Echinococcus granulosus lamin 0.0059 0.0115 0.0115
Onchocerca volvulus 0.0059 0.0115 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Echinococcus multilocularis Nuclear hormone receptor HR96 0.1089 0.4642 0.4642
Brugia malayi Nuclear hormone receptor family member nhr-49 0.2309 1 1
Loa Loa (eye worm) TAR-binding protein 0.0127 0.0416 0.0416
Brugia malayi nuclear receptor NHR-88 0.1089 0.4642 0.4642
Onchocerca volvulus 0.1089 0.4642 0.4631
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.002 0.002
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.1089 0.4642 0.4642
Echinococcus granulosus retinoic acid receptor rxr beta a 0.2309 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.2309 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.1089 0.4642 0.4642
Brugia malayi intermediate filament protein 0.0059 0.0115 0.0115
Brugia malayi nuclear hormone receptor 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Brugia malayi ecdysone receptor 0.1089 0.4642 0.4642
Brugia malayi tailless protein 0.1089 0.4642 0.4642
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.002 0.5
Echinococcus multilocularis lamin 0.0059 0.0115 0.0115
Echinococcus granulosus microtubule associated protein 2 0.0734 0.3084 0.3084
Brugia malayi nuclear hormone receptor family member odr-7 0.1089 0.4642 0.4642
Brugia malayi Nuclear hormone receptor family member nhr-40 0.2309 1 1
Brugia malayi Steroid receptor seven-up type 2 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.1089 0.4642 0.4642
Brugia malayi Nuclear hormone receptor family member nhr-3 0.2309 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.0894 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.122 0.5216 0.5216
Echinococcus granulosus nuclear receptor nhr 48 0.1089 0.4642 0.4642
Schistosoma mansoni nuclear hormone receptor 0.1089 0.4642 0.4642
Schistosoma mansoni nuclear hormone receptor 0.1089 0.4642 0.4642
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.2309 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.122 0.5216 0.5216
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.2309 1 1
Brugia malayi beta-lactamase family protein 0.0037 0.002 0.002
Brugia malayi steroid hormone receptor 0.2309 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.2309 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Echinococcus granulosus nuclear receptor 2DBD gamma 0.2309 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Brugia malayi Nuclear hormone receptor family member nhr-1 0.2309 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.002 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.2309 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0734 0.3084 0.3084
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.1205 0.1205
Echinococcus granulosus lamin dm0 0.0059 0.0115 0.0115
Schistosoma mansoni nuclear receptor 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Echinococcus granulosus tar DNA binding protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Schistosoma mansoni lamin 0.0059 0.0115 0.0115
Brugia malayi Nuclear hormone receptor-like 1 0.2309 1 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.095 0.095
Mycobacterium leprae conserved hypothetical protein 0.0037 0.002 0.5
Echinococcus granulosus geminin 0.0179 0.0643 0.0643
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0139 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0139 0.0139
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.2309 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0139 1
Brugia malayi hypothetical protein 0.122 0.5216 0.5216
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.122 0.5216 0.5216
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0491 0.0491
Schistosoma mansoni Tr4/Tr2 (homologue) 0.2309 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.2309 1 1
Brugia malayi hypothetical protein 0.1089 0.4642 0.4642
Brugia malayi nuclear receptor RXR 0.122 0.5216 0.5216
Brugia malayi RNA binding protein 0.0127 0.0416 0.0416
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.2309 1 1
Echinococcus granulosus tumor protein p63 0.2095 0.9062 0.9062
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0139 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.2309 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.2309 1 1
Schistosoma mansoni thyroid hormone receptor 0.2309 1 1
Brugia malayi Nuclear hormone receptor E75 0.1089 0.4642 0.4642
Loa Loa (eye worm) DR-78 0.1089 0.4642 0.4642
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.2309 1 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0416 0.0416
Echinococcus multilocularis tumor protein p63 0.2095 0.9062 0.9062
Schistosoma mansoni nuclear receptor 0.1089 0.4642 0.4642
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.2309 1 1
Loa Loa (eye worm) steroid hormone receptor 0.2309 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.2309 1 1
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.2309 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-41 0.2309 1 1
Brugia malayi hypothetical protein 0.122 0.5216 0.5216
Echinococcus multilocularis tar DNA binding protein 0.0127 0.0416 0.0416
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.122 0.5216 0.5216
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor 0.1089 0.4642 0.4642
Schistosoma mansoni nuclear hormone receptor 0.2309 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.2309 1 1
Loa Loa (eye worm) RNA binding protein 0.0127 0.0416 0.0416
Echinococcus multilocularis microtubule associated protein 2 0.0734 0.3084 0.3084
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Echinococcus multilocularis FTZ F1 alpha 0.2309 1 1
Schistosoma mansoni intermediate filament proteins 0.0059 0.0115 0.0115
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.1089 0.4642 0.4631
Schistosoma mansoni nuclear receptor nhr-48 0.1089 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.1089 0.4642 0.4642
Echinococcus granulosus nuclear receptor 2DBD gamma 0.2309 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1089 0.4642 0.4642
Brugia malayi hypothetical protein 0.1089 0.4642 0.4642
Entamoeba histolytica hypothetical protein 0.0043 0.0048 0.5
Brugia malayi beta-lactamase family protein 0.0037 0.002 0.002
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.1089 0.4642 0.4642
Loa Loa (eye worm) intermediate filament protein 0.0059 0.0115 0.0115
Echinococcus granulosus ecdysone induced protein 78C 0.2309 1 1
Brugia malayi nuclear receptor RXR 0.1089 0.4642 0.4642
Plasmodium vivax hypothetical protein, conserved 0.0037 0.002 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.0416 0.0416
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.2309 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.002
Entamoeba histolytica hypothetical protein 0.0043 0.0048 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.1089 0.4642 0.4642
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.2309 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.002 0.002
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.122 0.5216 0.5216
Schistosoma mansoni hypothetical protein 0.0179 0.0643 0.0643
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.002 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 8.11 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 11.13 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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