Detailed information for compound 1056302

Basic information

Technical information
  • TDR Targets ID: 1056302
  • Name: methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-ox oquinoline-3-carboxylate
  • MW: 366.389 | Formula: C16H18N2O6S
  • H donors: 0 H acceptors: 4 LogP: 0.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cn(C)c2c(c1=O)cc(cc2)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C16H18N2O6S/c1-17-10-13(16(20)23-2)15(19)12-9-11(3-4-14(12)17)25(21,22)18-5-7-24-8-6-18/h3-4,9-10H,5-8H2,1-2H3
  • InChiKey: USANZMVKVUAVKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 1-methyl-6-morpholinosulfonyl-4-oxo-quinoline-3-carboxylate
  • 1-methyl-6-morpholinosulfonyl-4-oxo-3-quinolinecarboxylic acid methyl ester
  • 4-keto-1-methyl-6-morpholinosulfonyl-quinoline-3-carboxylic acid methyl ester
  • methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxo-quinoline-3-carboxylate
  • methyl 1-methyl-6-(morpholin-4-ylsulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
  • EU-0095962
  • MLS000682311
  • SMR000314672

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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0272 0.0545
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0214 0.1088 0.2503
Schistosoma mansoni aldehyde dehydrogenase 0.0139 0.0686 0.1507
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0214 0.1088 0.3969
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0107 0.0241
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0214 0.1088 0.4762
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.0403 0.13
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0469
Echinococcus multilocularis 6 phosphogluconolactonase 0.0019 0.0037 0.008
Brugia malayi Probable ClpP-like protease 0.0087 0.0403 0.0542
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0107 0.0264
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0319
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.3477
Entamoeba histolytica hypothetical protein 0.0026 0.0075 1
Schistosoma mansoni lamin 0.0026 0.0075 0.0088
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0071 0.0317 0.1056
Plasmodium falciparum importin beta, putative 0.0032 0.0107 0.0174
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0233 0.119 0.4484
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0233 0.119 0.4484
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0075 0.0145
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0087 0.0403 0.0922
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0233 0.119 0.4484
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0075 0.0145
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0062 0.0136
Echinococcus multilocularis lamin 0.0026 0.0075 0.0168
Brugia malayi glucose-6-phosphate dehydrogenase 0.0214 0.1088 0.1488
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0139 0.0686 0.2449
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.3477
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0096 0.1603
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0233 0.119 0.4357
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.13
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0272 0.0621
Trichomonas vaginalis set domain proteins, putative 0.0496 0.2609 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0233 0.119 0.4305
Mycobacterium ulcerans aldehyde dehydrogenase 0.0139 0.0686 0.6171
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0011
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.0241 0.0551
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.001 0.0044
Echinococcus multilocularis muscleblind protein 0.0343 0.1782 0.4103
Schistosoma mansoni aldehyde dehydrogenase 0.0139 0.0686 0.1507
Brugia malayi intermediate filament protein 0.0026 0.0075 0.009
Schistosoma mansoni ran 0.0024 0.0062 0.0057
Schistosoma mansoni importin beta-1 0.0032 0.0107 0.0162
Brugia malayi Muscleblind-like protein 0.0343 0.1782 0.2447
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0075 0.033
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0214 0.1088 0.2442
Echinococcus granulosus lamin dm0 0.0026 0.0075 0.0168
Echinococcus multilocularis snurportin 1 0.0342 0.1776 0.4091
Brugia malayi MH2 domain containing protein 0.0141 0.0697 0.0948
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0062 0.0092
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.0241 0.0551
Leishmania major telomerase reverse transcriptase, putative 0.051 0.2684 1
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0066 0.0109
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0062 0.0092
Echinococcus granulosus microtubule associated protein 2 0.0817 0.4339 1
Echinococcus multilocularis microtubule associated protein 2 0.0817 0.4339 1
Echinococcus granulosus snurportin 1 0.0342 0.1776 0.4091
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0272 0.0621
Trichomonas vaginalis ran, putative 0.0024 0.0062 0.0095
Brugia malayi Telomerase reverse transcriptase 0.1358 0.7251 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.3477
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0075 0.033
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0436 0.2284 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0214 0.1088 0.3969
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0233 0.119 0.4305
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0019 0.0037 0.0163
Loa Loa (eye worm) hypothetical protein 0.0063 0.0272 0.1189
Toxoplasma gondii hypothetical protein 0.003 0.0096 0.0131
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0139 0.0686 0.1575
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0272 0.0545
Echinococcus multilocularis muscleblind protein 1 0.0343 0.1782 0.4103
Schistosoma mansoni intermediate filament proteins 0.0026 0.0075 0.0088
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0062 0.0092
Schistosoma mansoni ran 0.0024 0.0062 0.0057
Brugia malayi Pre-SET motif family protein 0.0063 0.0272 0.0361
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0062 0.0136
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0075 0.0145
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0087 0.0403 0.0922
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.0697 0.305
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0259 0.0592
Schistosoma mansoni peptidase Clp (S14 family) 0.0087 0.0403 0.0849
Echinococcus granulosus lamin 0.0026 0.0075 0.0168
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0069 0.0306 0.1014
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0075 0.009
Onchocerca volvulus 0.0496 0.2609 0.2553
Leishmania major GTP-binding protein, putative 0.0024 0.0062 0.0092
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0096 0.0557
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0062 0.0092
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0096 0.0131
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0087 0.0403 0.13
Echinococcus granulosus muscleblind protein 0.0343 0.1782 0.4103
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0272 0.0801
Plasmodium falciparum telomerase reverse transcriptase 0.051 0.2684 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0272 0.0545
Echinococcus multilocularis lamin dm0 0.0026 0.0075 0.0168
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.014 0.0688 0.6192
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0062 0.0071
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0107 0.0264
Loa Loa (eye worm) hypothetical protein 0.0087 0.0403 0.1762
Brugia malayi RNA, U transporter 1 0.0091 0.0425 0.0573
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.0241 0.5586
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.014 0.0688 0.2388
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0272 0.0545
Plasmodium vivax SET domain protein, putative 0.0063 0.0272 0.0801
Loa Loa (eye worm) hypothetical protein 0.0024 0.0066 0.029
Giardia lamblia Telomerase catalytic subunit 0.051 0.2684 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0066 0.0109
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0214 0.1088 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0214 0.1088 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0066 0.0017
Schistosoma mansoni lamin 0.0026 0.0075 0.0088
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.5
Brugia malayi Pre-SET motif family protein 0.0436 0.2284 0.3141
Brugia malayi hypothetical protein 0.0024 0.0066 0.0078
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0342 0.1776 0.7777
Mycobacterium ulcerans aldehyde dehydrogenase 0.0139 0.0686 0.6171
Echinococcus multilocularis musashi 0.0026 0.0075 0.0168
Brugia malayi 6-phosphogluconolactonase family protein 0.0019 0.0037 0.0038
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0214 0.1088 0.2503
Schistosoma mansoni hypothetical protein 0.0342 0.1776 0.4043
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0075 0.0141
Echinococcus granulosus intermediate filament protein 0.0026 0.0075 0.0168
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0272 0.0621
Toxoplasma gondii RNA-directed DNA polymerase 0.051 0.2684 1
Echinococcus granulosus importin subunit beta 1 0.0032 0.0107 0.0241
Plasmodium vivax telomerase reverse transcriptase, putative 0.051 0.2684 1
Toxoplasma gondii aldehyde dehydrogenase 0.0139 0.0686 0.2379
Echinococcus granulosus 6 phosphogluconolactonase 0.0019 0.0037 0.008
Brugia malayi hypothetical protein 0.0016 0.002 0.0013
Leishmania major hypothetical protein, conserved 0.0024 0.0066 0.0109
Trypanosoma brucei telomerase reverse transcriptase 0.051 0.2684 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0107 0.0174
Schistosoma mansoni microtubule-associated protein tau 0.0817 0.4339 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.051 0.2684 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0062 0.027
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0139 0.0686 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0066 0.0017
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0214 0.1088 1
Loa Loa (eye worm) hypothetical protein 0.0343 0.1782 0.7801
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0066 0.0017
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.3477
Loa Loa (eye worm) hypothetical protein 0.0026 0.0075 0.033
Brugia malayi Importin beta-1 subunit 0.0032 0.0107 0.0134
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0074 0.0335 0.2101
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.051 0.2684 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0139 0.0686 0.6171
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0107 0.0174
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0066 0.0017
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0233 0.119 0.4305
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0139 0.0686 0.1575
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.0697 0.305
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0087 0.0403 1
Onchocerca volvulus 0.0063 0.0272 0.0198
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0214 0.1088 0.3969
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0066 0.0109
Loa Loa (eye worm) hypothetical protein 0.0343 0.1782 0.7801
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0087 0.0403 0.3477
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0096 0.0131
Leishmania major importin beta-1 subunit, putative 0.0026 0.0075 0.0141
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.0403 0.13
Entamoeba histolytica Ran family GTPase 0.0024 0.0062 0.653

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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