Detailed information for compound 865131

Basic information

Technical information
  • TDR Targets ID: 865131
  • Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-meth ylpiperidin-1-yl)-1-propylquinolin-4-one
  • MW: 456.573 | Formula: C25H29FN2O3S
  • H donors: 0 H acceptors: 3 LogP: 5.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1cc(c(=O)c2c1cc(N1CCC(CC1)C)c(c2)F)S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C25H29FN2O3S/c1-4-11-28-16-24(32(30,31)19-7-5-17(2)6-8-19)25(29)20-14-21(26)23(15-22(20)28)27-12-9-18(3)10-13-27/h5-8,14-16,18H,4,9-13H2,1-3H3
  • InChiKey: MGVZXVYMXZIZQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methyl-1-piperidyl)-1-propyl-quinolin-4-one
  • 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methyl-1-piperidinyl)-1-propyl-4-quinolinone
  • 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methyl-1-piperidyl)-1-propyl-4-quinolone
  • 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperidin-1-yl)-1-propyl-quinolin-4-one

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 Cyclin, N-terminal domain containing protein 0.0171 0.2278 1
Trichomonas vaginalis cyclins, putative 0.0171 0.2278 1
Loa Loa (eye worm) AUR protein kinase 0.013 0.149 0.5942
Trichomonas vaginalis cyclins, putative 0.0117 0.1224 0.4577
Entamoeba histolytica cell division protein kinase 2, putative 0.01 0.0896 0.2888
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.01 0.0896 0.2888
Brugia malayi Protein kinase domain containing protein 0.01 0.0896 0.2888
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0171 0.2278 0.1518
Echinococcus granulosus cyclin dependent kinase 0.01 0.0896 0.2888
Schistosoma mansoni cyclin B 0.0171 0.2278 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.01 0.0896 0.6017
Giardia lamblia Aurora kinase 0.013 0.149 0.1195
Leishmania major protein kinase, putative 0.013 0.149 0.0652
Loa Loa (eye worm) hypothetical protein 0.0171 0.2278 1
Echinococcus granulosus cyclin dependent kinase 5 0.01 0.0896 0.2888
Trypanosoma cruzi aurora B kinase, putative 0.013 0.149 0.0652
Schistosoma mansoni serine/threonine protein kinase 0.013 0.149 0.5942
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.013 0.149 0.5942
Giardia lamblia G2/mitotic-specific cyclin B 0.0171 0.2278 0.201
Trypanosoma brucei tubulin-tyrosine ligase, putative 0.0567 1 1
Trichomonas vaginalis AGC family protein kinase 0.013 0.149 0.5942
Echinococcus multilocularis cyclin dependent kinase 5 0.01 0.0896 0.2888
Trypanosoma brucei mitotic cyclin 6 0.0171 0.2278 0.1518
Entamoeba histolytica protein kinase, putative 0.013 0.149 0.5942
Entamoeba histolytica cyclin, putative 0.0171 0.2278 1
Echinococcus multilocularis aurora kinase A 0.013 0.149 0.5942
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.013 0.149 0.5942
Trypanosoma cruzi tubulin-tyrosine ligase, putative 0.0567 1 1
Trichomonas vaginalis cyclins, putative 0.0171 0.2278 1
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0896 0.2888
Trichomonas vaginalis cyclin B, putative 0.0171 0.2278 1
Toxoplasma gondii aurora kinase 0.013 0.149 1
Trichomonas vaginalis AGC family protein kinase 0.013 0.149 0.5942
Loa Loa (eye worm) hypothetical protein 0.0098 0.0855 0.2676
Loa Loa (eye worm) AUR protein kinase 0.013 0.149 0.5942
Echinococcus multilocularis cyclin dependent kinase 0.01 0.0896 0.2888
Trypanosoma cruzi CYC2-like cyclin, putative 0.0171 0.2278 0.1518
Trichomonas vaginalis cyclin A, putative 0.0171 0.2278 1
Trichomonas vaginalis AGC family protein kinase 0.013 0.149 0.5942
Trichomonas vaginalis AGC family protein kinase 0.013 0.149 0.5942
Echinococcus granulosus aurora kinase A 0.013 0.149 0.5942
Echinococcus multilocularis cyclin dependent kinase 1 0.01 0.0896 0.2888
Trypanosoma cruzi cyclin, putative 0.0171 0.2278 0.1518
Entamoeba histolytica protein kinase, putative 0.013 0.149 0.5942
Entamoeba histolytica cell division protein kinase 2, putative 0.01 0.0896 0.2888
Brugia malayi serine/threonine kinase 12 0.013 0.149 0.5942
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0896 0.2888
Loa Loa (eye worm) hypothetical protein 0.01 0.0889 0.2852
Trichomonas vaginalis cyclins, putative 0.0171 0.2278 1
Entamoeba histolytica protein kinase domain containing protein 0.013 0.149 0.5942
Trypanosoma cruzi tubulin-tyrosine ligase, putative 0.0567 1 1
Trypanosoma brucei aurora B kinase 0.013 0.149 0.0652
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.01 0.0896 0.2888
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.01 0.0896 0.2888
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0896 0.2888
Echinococcus multilocularis cyclin dependent kinase 1 0.01 0.0896 0.2888
Trichomonas vaginalis cyclins, putative 0.0171 0.2278 1
Trichomonas vaginalis CMGC family protein kinase 0.01 0.0896 0.2888
Brugia malayi serine/threonine-protein kinase 6 0.013 0.149 0.5942
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0896 0.2888
Plasmodium falciparum serine/threonine protein kinase, putative 0.013 0.149 1
Giardia lamblia Kinase, CMGC CDK 0.01 0.0896 0.0581
Echinococcus multilocularis cyclin B 0.0171 0.2278 1
Leishmania major cyclin 0.0171 0.2278 0.1518
Echinococcus granulosus cyclin dependent kinase 1 0.01 0.0896 0.2888
Onchocerca volvulus 0.0171 0.2278 0.5
Entamoeba histolytica protein kinase , putative 0.013 0.149 0.5942
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.013 0.149 0.5942
Echinococcus granulosus cyclin B 0.0171 0.2278 1
Brugia malayi cell division control protein 2 homolog 0.01 0.0896 0.2888
Trichomonas vaginalis cyclin B, putative 0.0171 0.2278 1
Loa Loa (eye worm) AUR protein kinase 0.013 0.149 0.5942
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.01 0.0896 0.2888
Schistosoma mansoni protein kinase 0.013 0.149 0.5942
Plasmodium falciparum protein kinase 5 0.01 0.0896 0.4861
Trichomonas vaginalis cyclin B, putative 0.0171 0.2278 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0171 0.2278 1
Trypanosoma cruzi cyclin, putative 0.0171 0.2278 0.1518
Leishmania major tubulin-tyrosine ligase-like protein 0.0567 1 1
Trypanosoma cruzi cyclin 6, putative 0.0171 0.2278 0.1518
Giardia lamblia Kinase, CMGC CDK 0.01 0.0896 0.0581
Echinococcus granulosus serine:threonine protein kinase 12 B 0.013 0.149 0.5942
Brugia malayi serine/threonine protein kinase 6 0.013 0.149 0.5942
Loa Loa (eye worm) hypothetical protein 0.0171 0.2278 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.013 0.149 0.5942
Plasmodium vivax serine/threonine protein kinase 6, putative 0.013 0.149 1
Trichomonas vaginalis cyclin B, putative 0.0171 0.2278 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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