Detailed information for compound 1417012

Basic information

Technical information
  • TDR Targets ID: 1417012
  • Name: 1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin e
  • MW: 320.203 | Formula: C11H14BrNO3S
  • H donors: 0 H acceptors: 2 LogP: 2.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCCC1)Br
  • InChi: 1S/C11H14BrNO3S/c1-16-10-5-4-9(12)8-11(10)17(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
  • InChiKey: FPKQJHZVAVRUQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-bromo-2-methoxy-phenyl)sulfonylpyrrolidine
  • ZINC00079801
  • MLS000547927
  • SMR000113708
  • AP-263/42173424
  • 4-bromo-2-(1-pyrrolidinylsulfonyl)phenyl methyl ether
  • ST5171989

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
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 protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
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 serine/threonine protein kinase 0.0114 0.0907 0.5638
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.009 0.0604 0.0604
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0527 0.0924
Echinococcus granulosus choline O acetyltransferase 0.009 0.0604 0.1059
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.009 0.0604 0.1059
Loa Loa (eye worm) hypothetical protein 0.006 0.0225 0.0225
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0604 0.1039
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0604 0.1039
Loa Loa (eye worm) hypothetical protein 0.083 1 1
Brugia malayi Choline O-acetyltransferase 0.009 0.0604 0.0604
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.009 0.0604 0.1059
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Echinococcus multilocularis choline O acetyltransferase 0.009 0.0604 0.1059
Giardia lamblia Kinase, PLK 0.0114 0.0907 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.009 0.0604 0.6611
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1957 0.3431
Trypanosoma brucei hypothetical protein, conserved 0.009 0.0604 0.6611
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.009 0.0604 0.1039
Onchocerca volvulus 0.009 0.0604 0.6434
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0058 0.0498
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.009 0.0604 0.1039
Brugia malayi Choline O-acetyltransferase 0.009 0.0604 0.0604
Schistosoma mansoni alpha-glucosidase 0.0169 0.1609 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.009 0.0604 0.6611
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0382 0.0382
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0492 0.5705 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.009 0.0604 0.0604
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0907 0.1591
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0176 0.1819
Schistosoma mansoni alpha-glucosidase 0.0169 0.1609 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0081 0.0142
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0013 0.0023
Echinococcus granulosus chromobox protein 1 0.0084 0.0527 0.0924
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0013 0.0013
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0923 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0058 0.0498
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0907 0.0907
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0907 0.1571
Schistosoma mansoni choline o-acyltransferase 0.009 0.0604 0.3755
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0527 0.0527
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.009 0.0604 0.1039
Echinococcus multilocularis chromobox protein 1 0.0084 0.0527 0.0924
Brugia malayi chromobox protein homolog 3 0.0047 0.0058 0.0058
Onchocerca volvulus 0.009 0.0604 0.6434
Echinococcus multilocularis chromobox protein 1 0.0084 0.0527 0.0924
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0527 0.5749
Trypanosoma brucei polo-like protein kinase 0.0114 0.0907 1
Schistosoma mansoni chromobox protein 0.0084 0.0527 0.3276
Onchocerca volvulus 0.009 0.0604 0.6434
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0492 0.5705 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0907 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0103 0.1006
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0907 0.1571
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0907 1
Schistosoma mansoni kinase 0.0058 0.0195 0.1212
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.009 0.0604 0.1039
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0604 0.1039
Schistosoma mansoni alpha glucosidase 0.0044 0.0013 0.0082
Leishmania major carnitine palmitoyltransferase-like protein 0.009 0.0604 0.1039
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0622 0.3866
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0176 0.1819
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0907 0.0907
Loa Loa (eye worm) choline O-acetyltransferase 0.009 0.0604 0.0604
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0492 0.5705 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0103 0.1006
Onchocerca volvulus 0.0114 0.0904 0.9959
Brugia malayi jmjC domain containing protein 0.0115 0.0923 0.0923
Schistosoma mansoni choline o-acyltransferase 0.009 0.0604 0.3755
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0923 0.1618
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1957 0.1957
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0013 0.5
Leishmania major carnitine/choline acetyltransferase, putative 0.009 0.0604 0.1039
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.009 0.0604 0.0604
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0492 0.5705 1
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0604 0.1039
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1957 0.3431
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0492 0.5705 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.009 0.0604 0.6611
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0604 0.1039
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.009 0.0604 0.0604
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0907 0.1571
Schistosoma mansoni chromobox protein 0.0084 0.0527 0.3276
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.009 0.0604 0.1039
Loa Loa (eye worm) hypothetical protein 0.0047 0.0058 0.0058
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0013 0.0013
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0907 0.1591
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1957 0.3431
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.009 0.0604 0.6611
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0013 0.0023
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0081 0.0142
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0527 0.0527
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1957 0.1957
Onchocerca volvulus 0.009 0.0604 0.6434
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0527 0.5749
Loa Loa (eye worm) hypothetical protein 0.009 0.0604 0.0604
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0103 0.0535
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.009 0.0604 0.1039
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0907 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 2.9935 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 6.3096 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
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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