Detailed information for compound 827179

Basic information

Technical information
  • TDR Targets ID: 827179
  • Name: 1-butyl-3-(4-fluorophenyl)sulfonylquinolin-4- one
  • MW: 359.415 | Formula: C19H18FNO3S
  • H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1cc(c(=O)c2c1cccc2)S(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C19H18FNO3S/c1-2-3-12-21-13-18(19(22)16-6-4-5-7-17(16)21)25(23,24)15-10-8-14(20)9-11-15/h4-11,13H,2-3,12H2,1H3
  • InChiKey: RHWXTWIHXHDLFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-butyl-3-(4-fluorophenyl)sulfonyl-quinolin-4-one
  • 1-butyl-3-(4-fluorophenyl)sulfonyl-4-quinolinone
  • 1-butyl-3-(4-fluorophenyl)sulfonyl-4-quinolone
  • C682-1559
  • NCGC00111641-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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) hypothetical protein 0.0094 0.0295 0.0295
Loa Loa (eye worm) solute carrier family 6 member 4 0.0094 0.0295 0.0295
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1099 0.6231 0.8682
Schistosoma mansoni hypothetical protein 0.0088 0.0262 0.0365
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Onchocerca volvulus 0.009 0.0275 0.2025
Plasmodium falciparum carbonic anhydrase 0.0516 0.2791 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0094 0.0295 0.0411
Echinococcus multilocularis peroxidasin 0.0105 0.0363 0.0583
Echinococcus granulosus carbonic anhydrase 0.0516 0.2791 0.4478
Onchocerca volvulus Peroxidasin homolog 0.0105 0.0363 0.3006
Onchocerca volvulus 0.0211 0.0987 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0094 0.0295 0.0473
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1099 0.6231 0.8682
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.009 0.0275 0.0147
Echinococcus granulosus peroxidasin 0.0105 0.0363 0.0583
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.2791 0.4478
Echinococcus multilocularis carbonic anhydrase 0.0516 0.2791 0.4478
Onchocerca volvulus 0.0094 0.0295 0.2241
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.009 0.0275 0.2025
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0363 0.0583
Brugia malayi Peroxidasin 0.0105 0.0363 0.0583
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1099 0.6231 0.6231
Schistosoma mansoni carbonic anhydrase 0.0516 0.2791 0.3888
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1099 0.6231 1
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0363 0.0583
Onchocerca volvulus 0.0105 0.0363 0.3006
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0904 0.1451
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0094 0.0295 0.0411
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Echinococcus multilocularis WD repeat containing protein 48 0.0205 0.0951 0.1527
Brugia malayi Blistered cuticle protein 3 0.0105 0.0363 0.0583
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.2791 0.4478
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.007 0.0154 0.0184
Schistosoma mansoni cytochrome-c oxidase 0.009 0.0275 0.0384
Onchocerca volvulus 0.0105 0.0363 0.3006
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0095 0.0132
Loa Loa (eye worm) blistered cuticle protein 3 0.0105 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0205 0.0951 0.0951
Onchocerca volvulus Dual oxidase homolog 0.0105 0.0363 0.3006
Mycobacterium leprae Probable transmembrane transport protein 0.0243 0.118 0.1571
Loa Loa (eye worm) serotonin transporter b 0.0094 0.0295 0.0295
Trypanosoma brucei carbonic anhydrase-like protein 0.1099 0.6231 1
Echinococcus granulosus dynactin 5 p25 0.0073 0.0171 0.0274
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0516 0.2791 0.2791
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0363 0.0363
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1259 0.7177 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1099 0.6231 1
Schistosoma mansoni peroxidasin 0.0105 0.0363 0.0506
Onchocerca volvulus Putative sulfate transporter 0.0211 0.0987 1
Onchocerca volvulus 0.007 0.0154 0.0668
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Echinococcus granulosus carbonic anhydrase 0.0516 0.2791 0.4478
Onchocerca volvulus Peroxidase homolog 0.0105 0.0363 0.3006
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0208 0.0973 1
Onchocerca volvulus Chorion peroxidase homolog 0.0105 0.0363 0.3006
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0299 0.1506 1
Toxoplasma gondii hypothetical protein 0.0516 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.006 0.0095 0.0095
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0363 0.0583
Brugia malayi hypothetical protein 0.0105 0.0363 0.0583
Onchocerca volvulus 0.0105 0.0363 0.3006
Schistosoma mansoni alpha-glucosidase 0.0169 0.0742 0.1034
Echinococcus granulosus tumor protein p63 0.0408 0.2152 0.3453
Loa Loa (eye worm) carbonic anhydrase 3 0.1099 0.6231 0.6231
Echinococcus granulosus cytochrome c oxidase subunit II 0.0299 0.1506 0.2417
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0701 0.3884 0.675
Onchocerca volvulus 0.0114 0.0414 0.3579
Trichomonas vaginalis conserved hypothetical protein 0.1462 0.8374 1
Brugia malayi Hypothetical WD-repeat protein F35G12.4 in chromosome III 0.0205 0.0951 0.1527
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0516 0.2791 0.4478
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0801 0.4473 0.7823
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1004 0.5671 1
Loa Loa (eye worm) cytochrome oxidase subunit 2 0.0054 0.0062 0.0062
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.2791 0.4478
Toxoplasma gondii hypothetical protein 0.0117 0.0432 0.1546
Leishmania major carbonic anhydrase family protein, putative 0.1259 0.7177 1
Entamoeba histolytica ankyrin, putative 0.0073 0.0171 0.0238
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.009 0.0275 0.019
Mycobacterium leprae PROBABLE TRANSFERASE 0.007 0.0154 0.013
Schistosoma mansoni hypothetical protein 0.0117 0.0432 0.0601
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.009 0.0275 0.0987
Echinococcus granulosus WD repeat containing protein 48 0.0205 0.0951 0.1527
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0904 0.0904
Schistosoma mansoni alpha-glucosidase 0.0169 0.0742 0.1034
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.009 0.0275 0.2025
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.009 0.0275 0.2025
Treponema pallidum sodium- and chloride- dependent transporter 0.0094 0.0295 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Echinococcus multilocularis carbonic anhydrase 0.0516 0.2791 0.4478
Loa Loa (eye worm) hypothetical protein 0.0094 0.0295 0.0295
Onchocerca volvulus Peroxidasin homolog 0.0105 0.0363 0.3006
Loa Loa (eye worm) hypothetical protein 0.0516 0.2791 0.2791
Loa Loa (eye worm) norepinephrine transporter 0.0094 0.0295 0.0295
Schistosoma mansoni hypothetical protein 0.0516 0.2791 0.3888
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0363 0.0363
Schistosoma mansoni peroxidasin 0.0105 0.0363 0.0506
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Echinococcus multilocularis tumor protein p63 0.0408 0.2152 0.3453
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.2791 0.3888
Schistosoma mansoni carbonic anhydrase 0.1259 0.7177 1
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0363 0.0583
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0904 0.1451
Echinococcus multilocularis carbonic anhydrase 0.0516 0.2791 0.4478
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0363 0.0363
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0904 0.1451
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0516 0.2791 0.4478
Trichomonas vaginalis conserved hypothetical protein 0.1462 0.8374 1
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.2791 0.3888
Loa Loa (eye worm) animal heme peroxidase 0.0105 0.0363 0.0363
Echinococcus granulosus carbonic anhydrase 0.0516 0.2791 0.4478
Entamoeba histolytica carbonic anhydrase, putative 0.1259 0.7177 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0904 0.1451
Mycobacterium ulcerans carbonic anhydrase 0.1259 0.7177 0.8543
Mycobacterium ulcerans carbonic anhydrase 0.1462 0.8374 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Echinococcus multilocularis carbonic anhydrase II 0.1099 0.6231 1
Entamoeba histolytica acetyltransferase, putative 0.0073 0.0171 0.0238
Echinococcus multilocularis serotonin transporter 0.0094 0.0295 0.0473
Leishmania major carbonic anhydrase-like protein 0.1099 0.6231 0.8682
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.2791 0.3888
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0243 0.118 0.1835
Brugia malayi Animal haem peroxidase family protein 0.0105 0.0363 0.0583
Echinococcus granulosus serotonin transporter 0.0094 0.0295 0.0473
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.009 0.0275 0.2025
Loa Loa (eye worm) hypothetical protein 0.0105 0.0363 0.0363
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1099 0.6231 1
Schistosoma mansoni cytochrome c oxidase subunit II 0.0245 0.1186 0.1653
Onchocerca volvulus Peroxidase homolog 0.0105 0.0363 0.3006
Schistosoma mansoni hypothetical protein 0.0088 0.0262 0.0365
Loa Loa (eye worm) hypothetical protein 0.0516 0.2791 0.2791
Echinococcus granulosus carbonic anhydrase II 0.1099 0.6231 1
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0154 0.0184
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1099 0.6231 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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