Detailed information for compound 719258

Basic information

Technical information
  • TDR Targets ID: 719258
  • Name: 2-[(3-bromophenyl)-methylsulfonylamino]-N-[(4 -chlorophenyl)methyl]acetamide
  • MW: 431.732 | Formula: C16H16BrClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1cccc(c1)Br)NCc1ccc(cc1)Cl
  • InChi: 1S/C16H16BrClN2O3S/c1-24(22,23)20(15-4-2-3-13(17)9-15)11-16(21)19-10-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,21)
  • InChiKey: SVMJNYIJAQSQAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-chlorophenyl)methyl]acetamide
  • 2-[(3-bromophenyl)-mesyl-amino]-N-(4-chlorobenzyl)acetamide
  • 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-chlorophenyl)methyl]ethanamide
  • ZINC01108623

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 tar DNA-binding protein 0.0141 0.3523 0.7858
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.3957 0.3871
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1752 0.3908
Echinococcus multilocularis tar DNA binding protein 0.0141 0.3523 0.7858
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0838 0.1869
Loa Loa (eye worm) hypothetical protein 0.0072 0.107 0.3037
Schistosoma mansoni hypothetical protein 0.0168 0.4483 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0324 1 1
Schistosoma mansoni hypothetical protein 0.0072 0.107 0.2386
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0838 0.1869
Schistosoma mansoni hypothetical protein 0.0075 0.1195 0.2666
Loa Loa (eye worm) hypothetical protein 0.0105 0.2247 0.6377
Entamoeba histolytica hypothetical protein 0.0075 0.1195 0.5
Brugia malayi RNA binding protein 0.0141 0.3523 1
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.3523 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0011 0.0036
Loa Loa (eye worm) TAR-binding protein 0.0141 0.3523 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.2247 0.6377
Mycobacterium ulcerans hypothetical protein 0.0171 0.457 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.3957 0.3404
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.2899 0.823
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1752 0.3908
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1752 0.3908
Brugia malayi hypothetical protein 0.0127 0.3034 0.8613
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1174 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0011 0.0031
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1195 0.2666
Entamoeba histolytica hypothetical protein 0.0075 0.1195 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3523 0.7858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1752 0.3908
Brugia malayi Heterochromatin protein 1 0.0075 0.1174 0.3332
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.2899 0.823
Brugia malayi chromobox protein homolog 3 0.0042 0.0011 0.0031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.3523 1
Onchocerca volvulus Huntingtin homolog 0.0127 0.3034 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0153 0.3957 0.3871
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3523 0.7858
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0493 0.0358
Echinococcus granulosus geminin 0.0168 0.4483 1
Brugia malayi TAR-binding protein 0.0141 0.3523 1
Echinococcus granulosus chromobox protein 1 0.0075 0.1174 0.2619
Loa Loa (eye worm) RNA binding protein 0.0141 0.3523 1
Echinococcus granulosus chromobox protein 1 0.0075 0.1174 0.2619
Echinococcus multilocularis chromobox protein 1 0.0075 0.1174 0.2619
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.457 0.5793
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.1174 0.3332
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0838 0.1869
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3523 0.7858
Echinococcus multilocularis chromobox protein 1 0.0075 0.1174 0.2619
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0324 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.2247 0.6377
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0123 0.0407
Entamoeba histolytica hypothetical protein 0.0075 0.1195 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1752 0.3908
Schistosoma mansoni chromobox protein 0.0075 0.1174 0.2619
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.2247 0.6377
Schistosoma mansoni chromobox protein 0.0075 0.1174 0.2619
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3523 0.7858
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0324 1 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0123 0.0969
Echinococcus granulosus tar DNA binding protein 0.0141 0.3523 0.7858
Loa Loa (eye worm) hypothetical protein 0.0127 0.3034 0.8613
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1752 0.4974
Brugia malayi hypothetical protein 0.0075 0.1195 0.3393
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1195 0.2666
Loa Loa (eye worm) hypothetical protein 0.0127 0.3034 0.8613
Schistosoma mansoni hypothetical protein 0.0168 0.4483 1
Entamoeba histolytica hypothetical protein 0.0075 0.1195 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0838 0.1869
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1174 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1752 0.3908
Onchocerca volvulus Huntingtin homolog 0.0127 0.3034 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1195 0.2666
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.107 0.3037
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0838 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1752 0.4974
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0123 0.0969
Brugia malayi MH2 domain containing protein 0.0123 0.2899 0.823
Echinococcus multilocularis geminin 0.0168 0.4483 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.7281 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1752 0.3908

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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