Detailed information for compound 940567

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.87 | Formula: C20H25ClFNO
  • H donors: 0 H acceptors: 0 LogP: 5.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCCOc1ccccc1/C=C/c1ccc(cc1)F)C.Cl
  • InChi: 1S/C20H24FNO.ClH/c1-22(2)15-5-6-16-23-20-8-4-3-7-18(20)12-9-17-10-13-19(21)14-11-17;/h3-4,7-14H,5-6,15-16H2,1-2H3;1H/b12-9+;
  • InChiKey: AKUDWRYRKCDCDZ-NBYYMMLRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0213 0.4224 0.4211
Leishmania major arginine N-methyltransferase, type I 0.0037 0.0096 0.0431
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0034 0.0023 0.0036
Trypanosoma brucei endonuclease G, putative 0.0128 0.2234 1
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0037 0.0096 0.0147
Loa Loa (eye worm) CBP-B 0.0075 0.0995 0.0974
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Echinococcus multilocularis ectonucleotide 0.018 0.344 0.8144
Loa Loa (eye worm) hypothetical protein 0.0213 0.4224 0.4211
Entamoeba histolytica arginine N-methyltransferase 1, putative 0.0037 0.0096 0.0874
Mycobacterium ulcerans hypothetical protein 0.0034 0.0023 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0023 0.0023
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 0.6447
Loa Loa (eye worm) hypothetical protein 0.0069 0.0857 0.0835
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0033 0 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0213 0.4224 0.4224
Schistosoma mansoni hypothetical protein 0.0034 0.0023 0.0023
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0069 0.0857 0.377
Echinococcus granulosus transferase 0.0034 0.0023 0.0036
Trypanosoma cruzi endonuclease G, putative 0.0128 0.2234 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0108 0.1767 0.1767
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0069 0.0857 0.3558
Brugia malayi Protein arginine N-methyltransferase 0.0037 0.0096 0.0073
Schistosoma mansoni hypothetical protein 0.046 1 1
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0069 0.0857 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0213 0.4224 0.4224
Echinococcus granulosus probable protein arginine n-methyltransferase 0.0312 0.6552 1
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0037 0.0096 0.0073
Brugia malayi Carm1-pending protein 0.0037 0.0096 0.0073
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0213 0.4224 0.4224
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Echinococcus multilocularis CREB binding protein 0.0074 0.0973 0.2303
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 0.6447
Loa Loa (eye worm) hypothetical protein 0.018 0.344 0.3425
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 0.6447
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0128 0.2234 1
Schistosoma mansoni hypothetical protein 0.0034 0.0023 0.0023
Brugia malayi TAZ zinc finger family protein 0.0108 0.1767 0.1748
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0023 0.0055
Echinococcus granulosus Endonuclease G 0.0128 0.2234 0.3409
Loa Loa (eye worm) Carm1-pending protein 0.0037 0.0096 0.0073
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0037 0.0096 0.0431
Loa Loa (eye worm) hypothetical protein 0.0051 0.0426 0.0403
Echinococcus multilocularis transferase 0.0034 0.0023 0.0055
Echinococcus multilocularis Endonuclease G 0.0128 0.2234 0.5289
Leishmania major endonuclease G, putative 0.0128 0.2234 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0023 0.0023
Onchocerca volvulus 0.046 1 1
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0128 0.2234 1
Toxoplasma gondii bicoid-interacting protein BIN3 0.0037 0.0096 0.0431
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.018 0.344 0.8144
Mycobacterium leprae hypothetical protein 0.0034 0.0023 0.5
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0037 0.0096 0.0431
Schistosoma mansoni endonuclease related 0.0128 0.2234 0.2234
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0034 0.0023 0.0055
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0069 0.0857 0.3558
Schistosoma mansoni hypothetical protein 0.0037 0.0096 0.0096
Echinococcus granulosus protein arginine N methyltransferase 7 0.0037 0.0096 0.0147
Trypanosoma cruzi endonuclease G, putative 0.0128 0.2234 1
Toxoplasma gondii histone arginine methyltransferase PRMT3 0.0037 0.0096 0.0431
Echinococcus granulosus ectonucleotide 0.018 0.344 0.525
Schistosoma mansoni hypothetical protein 0.0034 0.0023 0.0023
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 0.6447
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0034 0.0023 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0023 0.0036
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0034 0.0023 0.0055
Onchocerca volvulus 0.0213 0.4224 0.4211
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0034 0.0023 0.5
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0037 0.0096 0.0228
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0128 0.2234 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0023 0.0055
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0213 0.4224 0.4211
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0037 0.0096 1
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0037 0.0096 1
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0037 0.0096 0.0228
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0128 0.2234 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0034 0.0023 0.0055
Brugia malayi hypothetical protein 0.0069 0.0857 0.0835
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0037 0.0096 1
Schistosoma mansoni protein arginine n-methyltransferase 0.0037 0.0096 0.0096
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 0.6447
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0213 0.4224 1
Echinococcus granulosus CREB binding protein 0.0108 0.1767 0.2697
Loa Loa (eye worm) hypothetical protein 0.0213 0.4224 0.4211
Schistosoma mansoni CREB-binding protein 2 0.0108 0.1767 0.1767
Echinococcus granulosus CREB binding protein 0.0067 0.0798 0.1218
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.046 1 1
Trypanosoma brucei endonuclease G, putative 0.0128 0.2234 1
Leishmania major ethanolamine phosphotransferase, putative 0.0034 0.0023 0.0105
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0037 0.0096 0.0329
Entamoeba histolytica hypothetical protein 0.0069 0.0857 1
Trypanosoma brucei endonuclease G, putative 0.0128 0.2234 1
Echinococcus granulosus methyltransferase protein 5 0.0037 0.0096 0.0147
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.018 0.344 0.525
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0213 0.4224 0.4224
Loa Loa (eye worm) hypothetical protein 0.0213 0.4224 0.4211
Brugia malayi endonuclease G, mitochondrial precursor 0.0128 0.2234 0.2216

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 15.4 mg kg-1 Ability to supress PTZ (pentylenetetrazol ) induced tonic extensor convulsion in mice after oral administration of the compound ChEMBL. 6716402
Inhibition (functional) = 14.3 % Ability to supress MES (maximal electroshock ) induced tonic extensor convulsion in mice after oral administration of the compound at a dose 100 mg/kg ChEMBL. 6716402

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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