Detailed information for compound 1442660

Basic information

Technical information
  • TDR Targets ID: 1442660
  • Name: 8-fluoro-2-[[4-methyl-5-[(2-methylphenoxy)met hyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-qu inolin-4-one
  • MW: 410.465 | Formula: C21H19FN4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1OCc1nnc(n1C)SCc1cc(=O)c2c([nH]1)c(F)ccc2
  • InChi: 1S/C21H19FN4O2S/c1-13-6-3-4-9-18(13)28-11-19-24-25-21(26(19)2)29-12-14-10-17(27)15-7-5-8-16(22)20(15)23-14/h3-10H,11-12H2,1-2H3,(H,23,27)
  • InChiKey: KBOLYMCCCKBZCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-fluoro-2-[[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one
  • 8-fluoro-2-[[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone
  • G751-2143
  • NCGC00133798-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.36 0.4735 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.7583 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.7583 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.002 0.002
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.36 0.4735 0.5
Echinococcus granulosus dihydrofolate reductase 0.7583 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.056 0.0717 0.0698
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.002 0.002
Brugia malayi Dihydrofolate reductase 0.7583 1 1
Brugia malayi intermediate filament protein 0.0033 0.002 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0266 0.0329 0.5
Echinococcus granulosus thymidylate synthase 0.056 0.0717 0.0698
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.36 0.4735 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.002 0.002
Echinococcus multilocularis thymidylate synthase 0.056 0.0717 0.0698
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.7583 1 1
Brugia malayi hypothetical protein 0.0266 0.0329 0.0329
Leishmania major dihydrofolate reductase-thymidylate synthase 0.36 0.4735 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.002 0.002
Onchocerca volvulus 0.056 0.0717 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.7583 1 1
Schistosoma mansoni dihydrofolate reductase 0.7583 1 1
Chlamydia trachomatis dihydrofolate reductase 0.7583 1 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.056 0.0717 0.0401
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.36 0.4735 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.36 0.4735 1
Loa Loa (eye worm) thymidylate synthase 0.056 0.0717 0.0717
Brugia malayi thymidylate synthase 0.056 0.0717 0.0717
Echinococcus multilocularis dihydrofolate reductase 0.7583 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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