Detailed information for compound 1458057

Basic information

Technical information
  • TDR Targets ID: 1458057
  • Name: 3-(2,4-dimethylphenyl)sulfonyl-6-fluoro-1-met hyl-7-(3-methylpiperidin-1-yl)quinolin-4-one
  • MW: 442.546 | Formula: C24H27FN2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCN(C1)c1cc2n(C)cc(c(=O)c2cc1F)S(=O)(=O)c1ccc(cc1C)C
  • InChi: 1S/C24H27FN2O3S/c1-15-7-8-22(17(3)10-15)31(29,30)23-14-26(4)20-12-21(19(25)11-18(20)24(23)28)27-9-5-6-16(2)13-27/h7-8,10-12,14,16H,5-6,9,13H2,1-4H3
  • InChiKey: GDFSENJRYRDESL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,4-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-7-(3-methyl-1-piperidyl)quinolin-4-one
  • 3-(2,4-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-7-(3-methyl-1-piperidinyl)-4-quinolinone
  • 3-(2,4-dimethylphenyl)sulfonyl-6-fluoro-1-methyl-7-(3-methyl-1-piperidyl)-4-quinolone
  • E599-0333
  • NCGC00123745-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pax transcription factor protein 2 0.0733 0.5775 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0177 0.1191 0.0973
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0511 0.4287
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1245 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.1639 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0162 0.1361
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0162 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0231 0.1639 0.2826
Echinococcus granulosus ornithine aminotransferase 0.0177 0.1191 0.6795
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0511 0.3012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0231 0.1639 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.016 0.0261
Echinococcus multilocularis ornithine aminotransferase 0.0177 0.1191 0.6795
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0177 0.1191 1
Plasmodium falciparum ornithine aminotransferase 0.0177 0.1191 1
Brugia malayi hypothetical protein 0.0052 0.0162 0.0265
Mycobacterium ulcerans acetylornithine aminotransferase 0.0177 0.1191 0.0717
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0242 0.0002
Brugia malayi hypothetical protein 0.0157 0.103 0.177
Mycobacterium ulcerans L-lysine aminotransferase 0.0177 0.1191 0.0717
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0177 0.1191 0.0717
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.1639 1
Brugia malayi MH2 domain containing protein 0.0117 0.0695 0.1189
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0242 0.0378
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1245 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0242 0.1348
Onchocerca volvulus 0.0733 0.5775 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0511 0.4287
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0162 0.1361
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0177 0.1191 0.0973
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1245 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0511 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0024 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0242 0.1348
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0242 0.0242
Mycobacterium ulcerans hypothetical protein 0.1245 1 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0177 0.1191 0.0973
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0242 0.1348
Loa Loa (eye worm) hypothetical protein 0.0157 0.103 0.1749
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0162 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.0162 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0242 0.1348
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0177 0.1191 0.7227
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0177 0.1191 0.1191
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0242 0.0002
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0177 0.1191 0.0717
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0162 0.1361
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0162 0.1361
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0695 0.1166
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0177 0.1191 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.1639 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0162 0.0239
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0177 0.1191 0.1191
Echinococcus multilocularis ornithine aminotransferase 0.0177 0.1191 0.6795
Loa Loa (eye worm) RNA binding protein 0.0062 0.0242 0.0378
Plasmodium vivax ornithine aminotransferase, putative 0.0177 0.1191 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0242 0.0403
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0242 0.0378
Mycobacterium tuberculosis Probable aminotransferase 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.016 0.0236
Brugia malayi Probable ClpP-like protease 0.0094 0.0511 0.0869
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0695 0.1166
Loa Loa (eye worm) hypothetical protein 0.0094 0.0511 0.0846
Brugia malayi TAR-binding protein 0.0062 0.0242 0.0403
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0511 0.4287
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0177 0.1191 0.0973
Echinococcus granulosus Aminotransferase class III 0.0177 0.1191 0.6795
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0177 0.1191 0.0717
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0162 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0733 0.5775 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0511 0.1923
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0242 0.1348
Echinococcus multilocularis Aminotransferase class III 0.0177 0.1191 0.6795
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.1639 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0511 0.1923
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0231 0.1639 0.2808
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0177 0.1191 0.1191
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.016 0.0261
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0177 0.1191 0.0717
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0177 0.1191 0.205
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0511 0.4287
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0231 0.1639 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0511 0.0511
Brugia malayi RNA binding protein 0.0062 0.0242 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.1639 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.016 0.0236
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0177 0.1191 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] 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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