Detailed information for compound 679491

Basic information

Technical information
  • TDR Targets ID: 679491
  • Name: 4-bromo-N-[(4-chlorophenyl)methyl]-N-(2-morph olin-4-yl-2-oxoethyl)benzenesulfonamide
  • MW: 487.795 | Formula: C19H20BrClN2O4S
  • H donors: 0 H acceptors: 3 LogP: 3.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)Br)CC(=O)N1CCOCC1
  • InChi: 1S/C19H20BrClN2O4S/c20-16-3-7-18(8-4-16)28(25,26)23(13-15-1-5-17(21)6-2-15)14-19(24)22-9-11-27-12-10-22/h1-8H,9-14H2
  • InChiKey: YLTZWTLJIAWVNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-[(4-chlorophenyl)methyl]-N-(2-morpholino-2-oxo-ethyl)benzenesulfonamide
  • 4-bromo-N-[(4-chlorophenyl)methyl]-N-(2-morpholino-2-oxoethyl)benzenesulfonamide
  • 4-bromo-N-(4-chlorobenzyl)-N-(2-keto-2-morpholino-ethyl)benzenesulfonamide
  • 4-bromo-N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxo-ethyl)benzenesulfonamide
  • ZINC02836698

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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0018
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0003 0.0022
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0003 0.785
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0003 0.0022
Echinococcus granulosus nmda type glutamate receptor 0.0018 0.0007 0.0059
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0003 0.0018
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0109 0.0556
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0003 0.0014
Echinococcus granulosus geminin 0.0522 0.123 1
Schistosoma mansoni P2X receptor subunit 0.0021 0.0015 0.012
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0003 0.0022
Brugia malayi jmjC domain containing protein 0.006 0.0109 0.0109
Echinococcus multilocularis p2X purinoceptor 4 0.0021 0.0015 0.0075
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0169 0.0374 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0003 0.0028
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0003 0.0014
Schistosoma mansoni jumonji domain containing protein 0.006 0.0109 0.0889
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0003 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0003
Echinococcus granulosus p2X purinoceptor 4 0.0021 0.0015 0.012
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.4135 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0003
Brugia malayi jmjC domain containing protein 0.0016 0.0003 0.0003
Brugia malayi jmjC domain containing protein 0.0016 0.0003 0.0003
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0003 1
Schistosoma mansoni P2X receptor subunit 0.0021 0.0015 0.012
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0003 0.0014
Leishmania major hypothetical protein, conserved 0.0016 0.0003 0.785
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0522 0.123 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0018
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0109 0.0109
Echinococcus granulosus p2X purinoceptor 4 0.0021 0.0015 0.012
Loa Loa (eye worm) hypothetical protein 0.0169 0.0374 0.0374
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0109 0.0889
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0003 0.0003
Echinococcus granulosus phd:f box containing protein 0.0016 0.0003 0.0022
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.4135 1 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0522 0.123 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0826 0.1968 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0003 0.785
Echinococcus multilocularis nmda type glutamate receptor 0.0018 0.0007 0.0037
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0003 1
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0003 0.0022
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0109 0.0889
Schistosoma mansoni P2X receptor subunit 0.0021 0.0015 0.012
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0109 0.0889
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0003 0.785
Plasmodium vivax JmjC domain containing protein 0.0016 0.0003 0.785
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0018 0.0007 0.0037
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0003 0.0022
Brugia malayi jmjC domain containing protein 0.0016 0.0003 0.0003
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0003 0.0022
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0003 0.0014
Echinococcus multilocularis p2X purinoceptor 4 0.0021 0.0015 0.0075
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0003 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0003 0.5
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0003 0.785
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0028
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0003 0.0022
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0003 0.0003
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0003 0.0022
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0109 0.0556
Schistosoma mansoni P2X receptor subunit 0.0021 0.0015 0.012
Echinococcus granulosus p2X purinoceptor 4 0.0021 0.0015 0.012
Brugia malayi jmjC domain containing protein 0.0016 0.0003 0.0003
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0003 0.0018
Loa Loa (eye worm) hypothetical protein 0.4135 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0018
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0003 1
Echinococcus multilocularis p2X purinoceptor 4 0.0021 0.0015 0.0075
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0169 0.0374 0.5
Brugia malayi jmjC domain containing protein 0.006 0.0109 0.0109
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0003 0.0014
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0003 0.785
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0003 0.0003
Brugia malayi isocitrate dehydrogenase 0.0016 0.0003 0.0003
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0109 0.0889
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0003 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0003 1
Echinococcus multilocularis geminin 0.0522 0.123 0.6249

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.
 
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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